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Heptadec-(10E)-enoate <methyl->
SpectraBase Compound ID DbSvtHRA2wU
InChI InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h8-9H,3-7,10-17H2,1-2H3/b9-8+
InChIKey JNSUZRHLHDQGPN-CMDGGOBGSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fA0zxmh8ls
Name Heptadec-(10E)-enoate
CAS Registry Number 77745-60-9
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 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h8-9H,3-7,10-17H2,1-2H3/b9-8+
InChIKey JNSUZRHLHDQGPN-CMDGGOBGSA-N
Molecular Weight 282.468 g/mol
Number of Peaks 199
RI2 1743
RI4 2009
RI5 1685
SMILES C(CCCCCCCC\C=C\CCCCCC)(=O)OC
SPLASH splash10-05nb-9300000000-dc013be2191f86780e46
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 10 (E)-Heptadecenoic acid, methyl ester Me. C17:1n7
Wiley ID LM_LIPIDS2016_194