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Oct-(4E)-enoic acid <ethyl-> ester
SpectraBase Compound ID HfDl0N5wyab
InChI InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKey WRUZCQAJIHSQPL-VOTSOKGWSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOiLdKS7fco
Name Oct-(4E)-enoic acid ester
Source of Sample SAFC Cat. #W526304
CAS Registry Number 78989-37-4
Classification Fatty esters; Fatty acid ethyl 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 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKey WRUZCQAJIHSQPL-VOTSOKGWSA-N
Molecular Weight 170.252 g/mol
Number of Peaks 50
RI1 1174
RI2 829
RI4 1189
RI5 874
SMILES C(CC\C=C\CCC)(=O)OCC
SPLASH splash10-05am-9000000000-b03abfc7356167c0718d
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 4-Octenoic acid, ethyl ester, (4E)-
Wiley ID LM_LIPIDS2016_374