Carbon‐13 chemical shift assignments of derivatives of benzoic acid

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 Ai 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.