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trans-4-DECENOIC ACID, ETHYL ESTER
SpectraBase Compound ID CrZzCUuC5yZ
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKey AWNIQMQADACLCJ-CMDGGOBGSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9O1Qt9UgKxR
Name Dec-(4E)-enoate
CAS Registry Number 76649-16-6
Classification Fatty esters; Fatty acid ethyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKey AWNIQMQADACLCJ-CMDGGOBGSA-N
Number of Peaks 50
RI2 1068
RI4 1380
RI5 1059
SMILES C(CC\C=C\CCCCC)(=O)OCC
SPLASH splash10-07vu-9200000000-bdc9f27396d19f1f55b3
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 4-Decenoic acid, ethyl ester, (4E)-
Wiley ID LM_LIPIDS2016_382