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Use of13C-NMR as complementar identification tool in essential oil analysis
Author(s) -
J. W. Alencar,
Maria Goretti de Vasconcelos Silva,
Maria Iracema L. Machado,
A. A. Craveiro,
Francisco José de Abreu Matos,
Ruy de Abreu Magalhães
Publication year - 1997
Publication title -
journal of spectroscopy
Language(s) - English
Resource type - Journals
eISSN - 2314-4920
pISSN - 2314-4939
DOI - 10.1155/1997/930701
Subject(s) - chemical shift , carbon atom , chemistry , identification (biology) , carbon fibers , carbon 13 nmr , atom (system on chip) , analytical chemistry (journal) , organic chemistry , materials science , engineering , botany , alkyl , composite number , composite material , biology , embedded system
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.

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