Organic Spectroscopy Workbook
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More About This Title Organic Spectroscopy Workbook


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:// By using the print edition alongside the online spectra, students will be able to enhance their understanding of the interpretation of multiple spectra.


TOM FORREST, Department of Chemistry, Dalhousie University, Canada

JEAN-PIERRE RABINE,Centre de Développement Informatique Enseignement Chimie, Université de Nice Sophia-Antipolis, France

MICHEL ROUILLARD, Centre de Développement Informatique Enseignement Chimie, Université de Nice Sophia-Antipolis, France


Preface vii

Acknowledgements ix

How to Use this Workbook 1

Preliminary Observations 2

Centres of Unsaturation 8

Exercises 1–100 10

Infrared Data 210

IR Frequencies: Display of Infrared Database by Frequency 210

IR Groups: Display of Infrared Database by Functional Group 216

1H NMR Data 221

General Tables of Functional Groups 221

Comparison of δ of Alkyl Groups Bearing a Substituent in α or β Position 225

Alkyl Groups with an α Substituent 226

Alkyl Groups with a β Substituent 226

Tables of δ for −CH2− Doubly Substituted in α Position 227

Tables of δ for Aromatics 229

Coupling Constants 230

13C NMR Data 233

General Ranges for CH3−, −CH2−, >CH−. . . 233

Chemical Shift Ranges for Functional Groups 234

Chemical Shift Estimations 234

Mass Spectrometry Data 240

Main Fragments Observed 240

Atomic Masses 242

Isotopic Abundances in % 243

Internet Resources 254

Glossary of Terms Used in the Exercises 255

Answers 257

Index 261