Carbon-13 Chemical Shift Assignments of Derivatives of Benzoic Acid

Article abstract of DOI:10.1002/mrc.1260280315

The 13C 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)(dialkoxycarbonyl)methylamino, (alkoxy)(alkoxycarbonyl)(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.