Structure Determination of Organic Compounds Tables of Spectral Data

While modero 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 reaIs, 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 I3C NMR, IH 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 arder 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 os, 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. We are particularly indebted to Dr. Dorothée Wegmann for her expertise with which she eliminated many errors and inconsistencies of the first versions. Special thanks are doe to Dr. Rich Knochenmuss (ETH Zürich) for the MALDI mass spectra of matrix materiais, Dr. Kikuko Hayarnizu for her help with the Spectral Database System of the National Institute of MateriaIs and Chemical Research, Tsukuba, Ibaraki (Japan), Prof. Bernhard Jaun and Dr. Martin Badertscher (ETH Zürich) for critically reading parts of the manuscript. Dr. Martin Badertscher is also thanked for the tutorial of the structure generator, Assemble 2.0, and Upstream Solutions (Hergiswil, Switzerland) for providing free versions of the computer programs on the enclosed compact disk.