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Oleyl behenate
SpectraBase Compound ID 9eL1PCVdyrF
InChI InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-39H2,1-2H3/b20-18-
InChIKey AOXNDJKHXBKZBT-ZZEZOPTASA-N
Mol Weight 591.1 g/mol
Molecular Formula C40H78O2
Exact Mass 590.600182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZT6Wx8RWI4
Name Oleyl behenate
Source of Sample LARODAN Cat. #45-2238-9;www.larodan.com
CAS Registry Number 66161-52-2
Classification Fatty esters; Wax monoesters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H78O2
InChI InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-39H2,1-2H3/b20-18-
InChIKey AOXNDJKHXBKZBT-ZZEZOPTASA-N
Number of Peaks 440
RI1 4130
RI4 4155
RI5 3506
SMILES C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCC\C=C/CCCCCCCC
SPLASH splash10-001j-9410000000-18a6a002e47542a70169
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Docosanoic acid, (9Z)-9-octadecen-1-yl ester
Wiley ID LM_LIPIDS2016_290