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The NMR spectra and conformations of cyclic compounds–III: The conformations of some pinane derivatives
Author(s) -
Abraham R. J.,
Bottom F. H.,
Cooper M. A.,
Salmon J. R.,
Whittaker D.
Publication year - 1969
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.1270010108
Subject(s) - steric effects , bent molecular geometry , chemistry , molecule , ring (chemistry) , spectral line , nmr spectra database , coupling constant , stereochemistry , crystallography , computational chemistry , organic chemistry , physics , particle physics , astronomy
The 220 MHz 1 H spectra of isoverbanone, nopinone and verbanone are reported. The spectra of the first two are completely assigned but that of verbanone only partially. The coupling constants obtained provide information about the conformation of these molecules. The isoverbanone molecule is almost Y shaped, but that of nopinone is between a Y shape and a half‐chair conformation with the six membered ring bent away form the gem dimethyl groups. These conformations are consistent with the known steric interactions in these molecules.