Use of 13C-NMR as complementar identification tool in essential oil analysis. Issue 4 (1997) - Alencar Alencar, José Wilson José Wilson
Abstract : A program using 13 C-NMR data was developed to improve GC/MS identifications of chemical constituents in essential oils. Compiled data uses 2290 and 2370 chemical shifts of 229 monoterpenes and 158 sesquiterpenes, respectively, stored into two reference libraries. Each carbon atom was codified using rules that correlates its chemical shift with structural features of the carbon hybridization and vicinity.