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1 H NMR spectra and ring shapes of the 4,5,8‐trimethyl and 4‐methyl derivatives of 1‐tetralone
Author(s) -
Cook Michael J.,
Hock Teh Kim
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.1270070412
Subject(s) - conformational isomerism , dihedral angle , tetralone , chemistry , ring (chemistry) , spectral line , nmr spectra database , crystallography , methyl group , stereochemistry , group (periodic table) , molecule , organic chemistry , hydrogen bond , physics , astronomy
The 220 MHz spectra of the title compounds are reported and values for the internal ring dihedral angle, Ψ , formed between the C‐2C‐1 and C‐3C‐4 bonds, calculated using the R‐value method. The trimethyltetralone exists in a conformer having Ψ = 51° and the 4‐methyl group in the axial position. 4‐Methyl‐1‐tetralone exists in a conformational equilibrium where the mean value of Ψ for the conformers adopted is 56°.