Organic Chemistry Portal

Chemistry Books


Categories: Analytical Chemistry >> MS, NMR

Structure Determination of Organic Compounds - Tables of Spectral Data

E. Pretsch, P. Bühlmann, M. Badertscher

Softcover, 491 Pages
4th Edition, 2009
ISBN: 978-3-540-93809-5


This volume presents in the form of texts, tables, charts and graphs a modern compilation of spectroscopic reference data for IR, UV/Vis, 1H- and 13C-NMR, MS (incl. prototype spectra of almost every important class of organic compounds and spectra of MALDI and FAB matrix materials) and is intended as a short textbook and a hands-on guide for interpreting experimental spectral data and elucidating the chemical structure of the respective compound behind it. The concise texts include special chapters on fragmentation rules in mass spectrometry and on currently used multipulse and 2-D NMR techniques. The book is primarily designed for students to be used during courses and exercises. The use of the book requires only basic knowledge of spectroscopic techniques, but is structured in such a way that it will support practitioners routinely faced with the task of interpreting such spectral information, and it will serve as data reference for specialists in the fields.

Editorial Review

"Pretsch", as the book has affectionately come to be called, is finally available in a new edition. To be sure, one was well prepared for daily life in the lab with the last edition, having the most important IR, NMR, UV and MS data in one volume, readily to hand. For a few compounds, it was necessary to make a few calculations by hand, which was understandable since the book couldn’t contain thousands of structures.

An expanded version has now appeared, and as expected, much has been reworked. The complete revision of the MS section is impressive, while the attention to detail has not suffered. A number positive aspects stand out: the chapter on 1H-NMR finally mentions spectra in non-deuterated solvents; and as well, matrix substances are now specified in the MS section. This makes Pretsch a really good resource to consult in order to determine quickly whether and which impurities are present.

New material has been added, while more individual compounds are enumerated. The compromise appears to have succeeded in this work. Natural products are included, everything from amino acids to steroids. In this connection, horizontal navigation bars are provided to guide the reader to all the data throughout the individual methods chapters that is relevant to a particular class of substance.

The CD-ROM for the book contains a tasty tidbit. While only a demo program that strictly rejects consideration of any molecule of more than 10 carbon atoms, it can calculate 13C-NMR and 1H-NMR shifts, a functionality that is only available in known structure editors with expensive add-ons. The prediction is heuristic, based upon known incremental effects, and the calculation is naturally completed in a matter of seconds.

"Structure Determination of Organic Compounds" is a must have book for every laboratory.