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Nuclear magnetic resonance and the conformation of some derivatives of Michler's ketone
Author(s) -
Bartle K. D.,
Hallas G.,
Hepworth J. D.
Publication year - 1975
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270070403
Subject(s) - dihedral angle , benzophenone , ketone , chemical shift , chemistry , steric effects , benzene , ring (chemistry) , crystallography , nuclear magnetic resonance , stereochemistry , photochemistry , molecule , organic chemistry , hydrogen bond , physics
1 H NMR spectra are reported for Michler's ketone and twenty of its derivatives, along with 13 C chemical shifts for five of the compounds. 1 H chemical shifts show only small changes with increasing substitution at the sterically hindered 2‐position. Estimates of the dihedral angle between the benzene ring and CCOC planes have been obtained from the chemical shifts of CO and 4‐C for ketones 1, 3, 5, 15 and 16 . These angles are both internally consistent and very similar to dihedral angles determined by other methods for corresponding compounds in the benzophenone series.