An empirical determination of 13C nuclear magnetic resonance spectra of terpene isomers generated by isoprene cyclodimerisation

Abstract

The ¹³C n.m.r. spectra of 1,4- and 2,4-dimethyl-4-vinylcyclohexene and of 1- and 2-methyl-4-isopropenylcyclohexene have been calculated using the increment additivity method starting from 4-vinylcyclohexene. The calculated spectra fit well with the experimental values obtained for binary mixtures and all lines in the experimental spectra can be assigned to individual carbons.