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Behenyl linoleate
SpectraBase Compound ID FxP9O0Ha9kj
InChI InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h12,14,18,24H,3-11,13,15-17,19-23,25-39H2,1-2H3/b14-12-,24-18-
InChIKey WBQCFLFBQKAZCD-IZZOXVKHSA-N
Mol Weight 589.0 g/mol
Molecular Formula C40H76O2
Exact Mass 588.584532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3N6Wwd3aBN
Name Behenyl linoleate
Source of Sample LARODAN Cat. #45-4822-9;www.larodan.com
CAS Registry Number 204688-40-4
Classification Fatty esters; Wax monoesters
Copyright Copyright © 2016-2025  John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H76O2
InChI InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h12,14,18,24H,3-11,13,15-17,19-23,25-39H2,1-2H3/b14-12-,24-18-
InChIKey WBQCFLFBQKAZCD-IZZOXVKHSA-N
Number of Peaks 476
RI1 4128
RI4 4154
RI5 3506
SMILES C(CCCCCCC\C=C/C\C=C/CCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-05o1-9510000000-eca38d1a5520f571f322
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 9,12-Octadecadienoic acid (9Z,12Z)-, docosyl ester
Wiley ID LM_LIPIDS2016_272