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Complete analysis of the 1 H NMR spectra of bicyclo[3.2.0]hept‐2‐en‐6‐one and the 7,7‐dimethyl, 7,7‐dichloro and 7‐ endo ‐chloro derivatives
Author(s) -
Abraham Raymond J.,
Bedford Geoffrey R.,
Canton Marcus,
Leonard Paul
Publication year - 2001
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.939
Subject(s) - chemistry , bicyclic molecule , chemical shift , coupling constant , spectral line , nmr spectra database , computational chemistry , proton , stereochemistry , nuclear physics , physics , quantum mechanics
Abstract The proton spectra of bicyclo[3.2.0]hept‐2‐en‐6‐one and the 7,7‐dimethyl, 7,7‐dichloro and 7‐ endo ‐chloro derivatives were analysed and the chemical shifts and coupling constants are reported. Molecular modelling and chemical shift calculations together with the observed couplings show that only minor conformational changes occur on substitution. Copyright © 2001 John Wiley & Sons, Ltd.