Structure Determination of Organic Compounds

Tables of Spectral Data

Author: Ernö Pretsch,P. Bühlmann,C. Affolter

Publisher: Springer Science & Business Media

ISBN: 3662042010

Category: Science

Page: 421

View: 319

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While modem techniques of nuclear magnetic resonance and mass spectrometry changed the ways of data acquisition and greatly extended the capabilities of these methods, the basic parameters, such as chemical shifts, coupling constants, and fragmentation pathways remain the same. This explains the ongoing success of the earlier editions of this book. However, since the amount of available data has considerably increased over the years, we decided to prepare an entirely new manuscript. It follows the same basic concepts, i. e. , it provides a representative, albeit limited set of reference data for the interpretation of 13C NMR, 1 H NMR, IR, mass, and UV Nis spectra. On the other hand, the book has undergone a number of changes. The amount of reference data has been doubled at least (especially for MS and IR) and the order and selection of data for the various spectroscopic methods is now arranged strictly in the same way. In addition, the the enclosed compact disc contains programs for estimating NMR chemical shifts and generating isomers based on structural information. Unfortunately, our teachers and colleagues, Prof. Wilhelm Simon and Prof. Thomas Clerc are no longer among us, and Prof. Joseph Seibl has retired years ago. Their contributions to developing the concept and the earlier editions of this work cannot be overemphasized. We also thank numerous colleagues who helped us in many different ways to complete the manuscript. Weare particularly indebted to Dr.

Tables of Spectral Data for Structure Determination of Organic Compounds

Author: Ernö Pretsch,T. Clerc,J. Seibl,W. Simon

Publisher: Springer Science & Business Media

ISBN: 3662224550

Category: Science

Page: 318

View: 9890

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Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.

Structure Determination of Organic Compounds

Tables of Spectral Data

Author: Ernö Pretsch,Philippe Bühlmann,Martin Badertscher

Publisher: Springer Science & Business Media

ISBN: 3540938109

Category: Science

Page: 433

View: 1648

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This succinct compilation of essential reference data for the interpretation of NMR, IR, UV/Vis, and mass spectra also provides a hands-on guide for interpreting experimental spectral data and elucidating the structure of the respective compounds behind them. This fourth edition of the highly successful and concise textbook contains about 20% new data.

Organic Structures from Spectra

Author: L. D. Field,S. Sternhell,J. R. Kalman

Publisher: John Wiley & Sons

ISBN: 1118325451

Category: Science

Page: 495

View: 8589

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The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. A critical part of any such course is a suitable set of problems to develop the student’s understanding of how structures are determined from spectra. Organic Structures from Spectra, Fifth Edition is a carefully chosen set of more than 280 structural problems employing the major modern spectroscopic techniques, a selection of 27 problems using 2D-NMR spectroscopy, more than 20 problems specifically dealing with the interpretation of spin-spin coupling in proton NMR spectra and 8 problems based on the quantitative analysis of mixtures using proton and carbon NMR spectroscopy. All of the problems are graded to develop and consolidate the student’s understanding of organic spectroscopy. The accompanying text is descriptive and only explains the underlying theory at a level which is sufficient to tackle the problems. The text includes condensed tables of characteristic spectral properties covering the frequently encountered functional groups. The examples themselves have been selected to include all important common structural features found in organic compounds and to emphasise connectivity arguments. Many of the compounds were synthesised specifically for this purpose. There are many more easy problems, to build confidence and demonstrate basic principles, than in other collections. The fifth edition of this popular textbook: includes more than 250 new spectra and more than 25 completely new problems; now incorporates an expanded suite of new problems dealing with the analysis of 2D NMR spectra (COSY, C‑H Correlation spectroscopy, HMBC, NOESY and TOCSY); has been expanded and updated to reflect the new developments in NMR and to retire older techniques that are no longer in common use; provides a set of problems dealing specifically with the quantitative analysis of mixtures using NMR spectroscopy; features proton NMR spectra obtained at 200, 400 and 600 MHz and 13C NMR spectra include DEPT experiments as well as proton-coupled experiments; contains 6 problems in the style of the experimental section of a research paper and two examples of fully worked solutions. Organic Structures from Spectra, Fifth Edition will prove invaluable for students of Chemistry, Pharmacy and Biochemistry taking a first course in Organic Chemistry. Contents - Preface -Introduction - Ultraviolet Spectroscopy - Infrared Spectroscopy - Mass Spectrometry - Nuclear Magnetic Resonance Spectroscopy – 2DNMR - Problems – Index Reviews from earlier editions “Your book is becoming one of the “go to” books for teaching structure determination here in the States. Great work!” “…I would definitely state that this book is the most useful aid to basic organic spectroscopy teaching in existence and I would strongly recommend every instructor in this area to use it either as a source of examples or as a class textbook”.—Magnetic Resonance in Chemistry “Over the past year I have trained many students using problems in your book - they initially find it as a task. But after doing 3-4 problems with all their brains activities... working out the rest of the problems become a mania. They get addicted to the problem solving and every time they solve a problem by themselves, their confident level also increases.” “I am teaching the fundamentals of Molecular Spectroscopy and your books represent excellent sources of spectroscopic problems for students.”

Organic Structure Analysis

Author: Phillip Crews,Jaime Rodríguez,Marcel Jaspars

Publisher: Oxford University Press, USA

ISBN: 9780195336047

Category: Medical

Page: 636

View: 4735

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The most up-to-date integrated spectroscopy text available, Organic Structure Analysis, Second Edition, is the only text that teaches students how to solve structures as they are solved in actual practice. Ideal for advanced undergraduate and graduate courses in organic structure analysis, organic structure identification, and organic spectroscopy, it emphasizes real applications--integrating theory as needed--and introduces students to the latest spectroscopic methods. An Instructor's Resource CD-ROM, which includes all of the figures from the text in electronic format and the solutions to all of the exercises and problems from the text (in an editable Word file format), is also available for adopting professors. Please contact your publisher sales representative. FEATURES * Focus on Structure: Opens with structural elements and then considers the characteristics, advantages, and disadvantages of spectroscopic methods. Includes coverage of the steps used in determining a molecular structure, the limitations to organic structure determination by spectroscopic methods, and an "Organic Structure Analyses Gone Bad" table (all unique to this text) * Practical Organization: Presents the most commonly used methods first, beginning with an overview of strategies, followed by the use of NMR, and then moving on to mass spectrometry, infrared, and ultraviolet * Innovative Real-World Problem-Solving Approach: Follows the actual information flow used by chemists to solve molecular structures, as opposed to the standard methods-based approach of other texts * Unique Chapter (12) Featuring 51 Structure-Solving Problems: Each problem emphasizes a different method; the problems increase in difficulty throughout the chapter, successively building on students' knowledge and requiring them to integrate multiple methods to identify molecules. NEW TO THE SECOND EDITION * Coverage of the Latest Instrumental and Computational Advances: Examines the use of modern instruments, data processing, and computer-assisted structure elucidation techniques * Updated and Expanded Treatment of NMR (Chapters 2-5): An extensively revised Chapter 5 discusses multi-pulse 1D and 2D NMR methods, 1D TOCSY and 1D NOESY sequences, and using NOESY and ROESY in determining relative stereochemistry and solution conformation. * Additional Coverage of Mass Spectrometry: A new chapter (7) expands the discussion of mass spectrometry to three chapters (6-8). Topics include cutting-edge MS instrumentation and new information on tandem MS techniques, combining NMR with MS, large-molecule MS, chemo-informatics, and more. * More Exercises and Improved Spectra: The second edition includes 25% more problems than the previous edition (279 total). In addition, many of the spectra, including all of those presented in Chapters 11 and 12, have been reprocessed or reacquired for greater clarity.

NMR Data Interpretation Explained

Understanding 1D and 2D NMR Spectra of Organic Compounds and Natural Products

Author: Neil E. Jacobsen

Publisher: John Wiley & Sons

ISBN: 1118370228

Category: Science

Page: 648

View: 7347

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NMR Data Interpretation Explained shows how to get from an NMR spectrum to a chemical structure through numerous examples and exercises. Each topic is introduced with one or more examples of NMR data accompanied by detailed explanations of the interpretation of that data. Examples are then followed by a number of exercises using detailed images of NMR data. These are followed up by solutions, again with detailed explanations of the step-by-step reasoning used to solve the exercises. --

High-resolution NMR Techniques in Organic Chemistry

Author: Timothy D. W. Claridge

Publisher: Newnes

ISBN: 0080546285

Category: Mathematics

Page: 383

View: 2980

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"Nuclear Magnetic Resonance (NMR) Spectroscopy remains the foremost analytical technique for the structure elucidation of organic molecules and an indispensable tool for the synthetic, medicinal and natural product chemist. New techniques continue to emerge and the application of NMR methods continues to expand. High-Resolution NMR Techniques in Organic Chemistry is designed for use in academic and industrial NMR facilities, as a text for graduate-level NMR courses, and as an accessible reference for the chemist's or spectroscopist's desk." --Book Jacket.

Organic Spectroscopy Workbook

Author: Tom Forrest,Jean-Pierre Rabine,Michel Rouillard

Publisher: John Wiley & Sons

ISBN: 1119975948

Category: Science

Page: 272

View: 3947

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Spectroscopy is used in physical and analytical chemistry for the identification of substances through the spectrum emitted from or absorbed by them. The derivation of structural information from spectroscopic data is now an integral part of many courses in chemistry and related subjects at most universities. This workbook: Features exercises to help develop the student's understanding of how structures are determined from spectra and to promote the student's own interpretation of different spectra. Covers a large range of spectroscopic data, including mass spectrometry, infrared and 1H and 13C nuclear magnetic resonance, typically used in the routine analysis of small-sized organic molecules. Presents in full-color, in a workbook-friendly format the spectra for interpretation with explanations and analyses on the facing page. Related to the workbook the authors have an online resource of the problems featured in the workbook, available at: htttp://spectros.unice.fr/ By using the print edition alongside the online spectra, students will be able to enhance their understanding of the interpretation of multiple spectra.

Organic Spectroscopy

Author: Lal Dhar Singh Yadav

Publisher: Springer Science & Business Media

ISBN: 1402025750

Category: Science

Page: 324

View: 6141

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Organic Spectroscopy presents the derivation of structural information from UV, IR, Raman, 1H NMR, 13C NMR, Mass and ESR spectral data in such a way that stimulates interest of students and researchers alike. The application of spectroscopy for structure determination and analysis has seen phenomenal growth and is now an integral part of Organic Chemistry courses. This book provides: -A logical, comprehensive, lucid and accurate presentation, thus making it easy to understand even through self-study; -Theoretical aspects of spectral techniques necessary for the interpretation of spectra; -Salient features of instrumentation involved in spectroscopic methods; -Useful spectral data in the form of tables, charts and figures; -Examples of spectra to familiarize the reader; -Many varied problems to help build competence ad confidence; -A separate chapter on ‘spectroscopic solutions of structural problems’ to emphasize the utility of spectroscopy. Organic Spectroscopy is an invaluable reference for the interpretation of various spectra. It can be used as a basic text for undergraduate and postgraduate students of spectroscopy as well as a practical resource by research chemists. The book will be of interest to chemists and analysts in academia and industry, especially those engaged in the synthesis and analysis of organic compounds including drugs, drug intermediates, agrochemicals, polymers and dyes.

UV Spectroscopy

Techniques, instrumentation and data handling

Author: B.J. Clark,T. Frost,M.A. Russell

Publisher: Springer Science & Business Media

ISBN: 9780412405303

Category: Science

Page: 146

View: 4647

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This book is intended as an introductory text. It starts at the very fundamentals of the interaction of light and matter and progresses through the laws of light absorption, instrumentation and standards to the newer chemometric techniques. Other chapters cover colour, structural aspects of UV spectroscopy, detection in high performace liquid chromatography and flourescence.

Challenges in Molecular Structure Determination

Author: Manfred Reichenbächer,Jürgen Popp

Publisher: Springer Science & Business Media

ISBN: 3642243894

Category: Science

Page: 482

View: 9250

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Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.

Basic One- and Two-Dimensional NMR Spectroscopy

Author: Horst Friebolin

Publisher: Wiley-VCH

ISBN: 9783527327829

Category: Science

Page: 442

View: 7677

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This is the fifth edition of the highly successful, classic textbook for bachelor and master courses, with over 20 % new material and the contents completely revised and updated. Using a minimum of mathematics, it explains the underlying theory of this most important spectroscopic technique in a thorough, yet readily understandable way, covering instrumentation and interpretation of the spectra. It presents all students need to know about 1D, 2D-NMR, solid state and dynamic NMR spectroscopy, as well as NMR imaging, all illustrated by examples for maximum clarity. All the sections include sub-chapters that focus on applications taken from organic, macromolecular, polymer and biochemistry. A must for students and lecturers in chemistry, biochemistry, pharmacy, and life sciences, as well as for spectroscopists.

Electronic Structure of Organic Compounds

Author: Kendall N. Houk,Christopher A. Hunter,Michael J. Krische,Jean-Marie Lehn,Steven V. Ley,Massimo Olivucci,Joachim Thiem,Margherita Venturi,Pierre Vogel,Chi-Huey Wong,Henry N. C. Wong,Hisashi Yamamoto

Publisher: Springer

ISBN: 9783540055402

Category: Science

Page: 57

View: 6654

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Organic Spectroscopic Structure Determination

A Problem-based Learning Approach

Author: Douglass F. Taber

Publisher: Oxford University Press, USA

ISBN: 9780195314700

Category: Science

Page: 263

View: 9731

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Organic Spectroscopic Structure Determination is designed as a first introduction to the elucidation of molecular structures. It consists of four sections that engage the imagination of the student. Taber has arranged the material in such a way that the students can work the problems and learn the procedures on their own, minimizing the time taken in lecture. The first section includes three chapters of instruction on the methods of organic spectroscopy. The second consists of fifty problems with just data sets of spectroscopic data. The third includes fifty problems that show starting materials and reaction conditions, with spectroscopic data for the product. The final section features tables of spectroscopic data.

Introduction to Spectroscopy

Author: Donald L. Pavia,Gary M. Lampman,George S. Kriz,James A. Vyvyan

Publisher: Cengage Learning

ISBN: 1305177827

Category: Science

Page: 784

View: 339

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Introduce your students to the latest advances in spectroscopy with the text that has set the standard in the field for more than three decades: INTRODUCTION TO SPECTROSCOPY, 5e, by Donald L. Pavia, Gary M. Lampman, George A. Kriz, and James R. Vyvyan. Whether you use the book as a primary text in an upper-level spectroscopy course or as a companion book with an organic chemistry text, your students will receive an unmatched, systematic introduction to spectra and basic theoretical concepts in spectroscopic methods. This acclaimed resource features up-to-date spectra; a modern presentation of one-dimensional nuclear magnetic resonance (NMR) spectroscopy; an introduction to biological molecules in mass spectrometry; and coverage of modern techniques alongside DEPT, COSY, and HECTOR. Important Notice: Media content referenced within the product description or the product text may not be available in the ebook version.

Organic Structures from 2D NMR Spectra

Author: L. D. Field,H. L. Li,A. M. Magill

Publisher: John Wiley & Sons

ISBN: 1118868943

Category: Science

Page: 328

View: 3260

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The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. Over recent years, a number of powerful two–dimensional NMR techniques (e.g. HSQC, HMBC, TOCSY, COSY and NOESY) have been developed and these have vastly expanded the amount of structural information that can be obtained by NMR spectroscopy. Improvements in NMR instrumentation now mean that 2D NMR spectra are routinely (and sometimes automatically) acquired during the identification and characterisation of organic compounds. Organic Structures from 2D NMR Spectra is a carefully chosen set of more than 60 structural problems employing 2D–NMR spectroscopy. The problems are graded to develop and consolidate a student s understanding of 2D NMR spectroscopy. There are many easy problems at the beginning of the collection, to build confidence and demonstrate the basic principles from which structural information can be extracted using 2D NMR. The accompanying text is very descriptive and focussed on explaining the underlying theory at the most appropriate level to sufficiently tackle the problems. Organic Structures from 2D NMR Spectra Is a graded series of about 60 problems in 2D NMR spectroscopy that assumes a basic knowledge of organic chemistry and a basic knowledge of one–dimensional NMR spectroscopy Incorporates the basic theory behind 2D NMR and those common 2D NMR experiments that have proved most useful in solving structural problems in organic chemistry Focuses on the most common 2D NMR techniques including COSY, NOESY, HMBC, TOCSY, CH–Correlation and multiplicity–edited C–H Correlation. Incorporates several examples containing the heteronuclei 31P, 15N and 19F Organic Structures from 2D NMR Spectra is a logical follow–on from the highly successful Organic Structures from Spectra which is now in its fifth edition. The book will be invaluable for students of Chemistry, Pharmacy, Biochemistry and those taking courses in Organic Chemistry. Also available: Instructors Guide and Solutions Manual to Organic Structures from 2D NMR Spectra

Mass Spectrometry

Principles and Applications

Author: Edmond de Hoffmann,Vincent Stroobant

Publisher: John Wiley & Sons

ISBN: 1118681940

Category: Science

Page: 504

View: 4079

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The latest edition of a highly successful textbook, Mass Spectrometry, Third Edition provides students with a complete overview of the principles, theories and key applications of modern mass spectrometry. All instrumental aspects of mass spectrometry are clearly and concisely described: sources, analysers and detectors. Tandem mass spectrometry is introduced early on and then developed in more detail in a later chapter. Emphasis is placed throughout the text on optimal utilisation conditions. Various fragmentation patterns are described together with analytical information that derives from the mass spectra. This new edition has been thoroughly revised and updated and has been redesigned to give the book a more contemporary look. As with previous editions it contains numerous examples, references and a series of exercises of increasing difficulty to encourage student understanding. Updates include: Increased coverage of MALDI and ESI, more detailed description of time of flight spectrometers, new material on isotope ratio mass spectrometry, and an expanded range of applications. Mass Spectrometry, Third Edition is an invaluable resource for all undergraduate and postgraduate students using this technique in departments of chemistry, biochemistry, medicine, pharmacology, agriculture, material science and food science. It is also of interest for researchers looking for an overview of the latest techniques and developments.

Problems in spectroscopy

organic structure determination by NMR, IR, UV, and mass spectra

Author: Barry M. Trost

Publisher: N.A

ISBN: N.A

Category: Science

Page: N.A

View: 6392

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