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METHYL-ALL-cis-OCTADECA-6,9,12-TRIENOIC ACID
SpectraBase Compound ID A6R9cnFJck
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10+,14-13+
InChIKey JFRWATCOFCPIBM-SPOHZTNBSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kNhjAsgHkX
Name Octadeca-(6,9,12)-trienoate
CAS Registry Number 2676-41-7
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 292.240230268 u
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10+,14-13+
InChIKey JFRWATCOFCPIBM-SPOHZTNBSA-N
Molecular Weight 292.463 g/mol
Number of Peaks 172
RI2 1874
RI4 2085
SMILES C(CCCC\C=C\C\C=C\C\C=C\CCCCC)(=O)OC
SPLASH splash10-000x-9200000000-989b1a2942a24cdef509
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 6,9,12-Octadecatrienoic acid, methyl ester Me. C18:3n6
Wiley ID LM_LIPIDS2016_129