Computerunterstützte Zuordnung von13C-NMR-Spektren

A computer program for the assignment of¹³C resonances to the respective carbons of a known structure is presented. The algorithm is based on the prediction of chemical shift ranges from a data base containing carbon-centered substructural environments and their corresponding chemical shifts. The method permits a stepwise solution of the assignment problem using chemical shift arguments up to a five-bond radius.