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Calculation of the NMR spectrum of double‐bond protons in aliphatic systems
Author(s) -
Schaumburg K.,
Bernstein H. J.
Publication year - 1968
Publication title -
lipids
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.601
H-Index - 120
eISSN - 1558-9307
pISSN - 0024-4201
DOI - 10.1007/bf02531186
Subject(s) - chemistry , elaidic acid , double bond , chemical shift , coupling constant , organic chemistry , computational chemistry , linoleic acid , fatty acid , physics , particle physics
A simplified subspectral method is presented to determine coupling constants and chemical shifts for the group −CH 2 −CH=CH−CH 2 − in aliphatic compounds. Results are given for methyl esters of oleic, elaidic, erucic, and linoleic acid. These results are in agreement with more elaborate calculations.