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Carbon‐13 chemical shift assignments of derivatives of benzoic acid
Author(s) -
Wnuk Stanisław,
Wyrzykiewicz Elżbieta,
Kaczmarek Elżbieta,
Kinastowski Stefan
Publication year - 1990
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260280315
Subject(s) - chemistry , alkoxy group , benzoic acid , chemical shift , carbon 13 nmr , medicinal chemistry , organic chemistry , stereochemistry , alkyl
The 13 C NMR spectra of 23 di‐ and tri‐substituted derivatives of esters, thioesters and amides of benzoic acids have been calculated and fully assigned. The A i empirical parameters of the (alkoxy)(dialkoxycar‐bonyl) methylamino, (alkoxy)(alkoxycar‐bonyl)(cyano)methylamino, (alkylamino) (dialkoxycarbonyl) methylamino and (alkylthio) (dialkoxycarbonyl) methylamino groups have been calculated for use in the prediction of the chemical shifts of substituted benzenes.