1 H NMR spectra and ring shapes of the 4,5,8‐trimethyl and 4‐methyl derivatives of 1‐tetralone | Zendy

Cook Michael J. | Zendy; Hock Teh Kim | Zendy

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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°.

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