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6-Octadecenoic acid, methyl ester, (Z)
SpectraBase Compound ID 6rHdlZ6cvts
InChI InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13-
InChIKey QRTVDKVXAFJVRU-YPKPFQOOSA-N
Mol Weight 296.5 g/mol
Molecular Formula C19H36O2
Exact Mass 296.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87rngzJlh11
Name Petroselinate
CAS Registry Number 2777-58-4
Classification Fatty esters; Fatty acid methyl esters
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 296.271530397 u
Formula C19H36O2
InChI InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13-
InChIKey QRTVDKVXAFJVRU-YPKPFQOOSA-N
Molecular Weight 296.495 g/mol
Number of Peaks 233
RI2 1812
RI4 2098
RI5 1775
SMILES C(CCCC\C=C/CCCCCCCCCCC)(=O)OC
SPLASH splash10-053v-9200000000-6ba7bc76e269b81315d4
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 6-Octadecenoic acid, methyl ester, (Z) Me. C18:1n12
Wiley ID LM_LIPIDS2016_85