Use of ^{13}CNMR as complementar identification tool in essential oil analysis

Autor: Alencar, José Wilson, de Vasconcelos Silva, Maria Goretti, Machado, Maria Iracema Lacerda, Craveiro, Afrânio Aragão, de Abreu Matos, Francisco José, de Abreu Magalhães, Ruy
Zdroj: Spectroscopy; January 1997, Vol. 13 Issue: 4 p265-273, 9p
Abstrakt: A program using ^{13}CNMR 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.
Databáze: Supplemental Index