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Carbon‐13 magnetic resonance studies of cyclic compounds. 2. Carbon‐13 chemical shift parameters for equatorial and axial substituents in cyclohexane: The substituents methyl, ethyl, isopropyl, methoxy and phthalimido
Author(s) -
Booth H.,
Everett J. R.,
Fleming R. A.
Publication year - 1979
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.1270120204
Subject(s) - cyclohexane , isopropyl , alkyl , chemistry , chemical shift , carbon fibers , medicinal chemistry , carbon 13 nmr , photochemistry , crystallography , stereochemistry , organic chemistry , materials science , composite number , composite material
Abstract Carbon‐13 chemical shift parameters for equatorial and axial substituents in cyclohexane are reported for methyl, ethyl, isopropyl, methoxy and phthalimido substituents. The usefulness of the alkyl parameters is demonstrated by the agreement between calculated and observed 13 C shifts for trans ‐1,4‐dialkylcyclohexanes (alkyl = Me, Et, i ‐Pr) and for both conformations of cis ‐1,4‐dialkylcyclohexanes (alkyl = Me, Et, i ‐Pr).