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oleic acid, cis-9-octadecenyl ester
SpectraBase Compound ID CkbJhrxHNIl
InChI InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-
InChIKey BARWIPMJPCRCTP-CLFAGFIQSA-N
Mol Weight 532.9 g/mol
Molecular Formula C36H68O2
Exact Mass 532.521931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKQyYQ1kNIk
Name Oleyl oleate
Source of Sample LARODAN Cat. #45-3838-9;www.larodan.com
CAS Registry Number 3687-45-4
Classification Fatty esters; Wax monoesters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 532.521931428 u
Formula C36H68O2
InChI InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-
InChIKey BARWIPMJPCRCTP-CLFAGFIQSA-N
Molecular Weight 532.938 g/mol
Number of Peaks 389
RI1 3525
RI4 3546
RI5 3079
SMILES C(CCCCCCC\C=C/CCCCCCCC)(=O)OCCCCCCCC\C=C/CCCCCCCC
SPLASH splash10-0apl-9200000000-f1416817f8d1c3d70b10
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 9-Octadecenoic acid (9Z)-, (9Z)-9-octadecen-1-yl ester
Wiley ID LM_LIPIDS2016_298