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Hexanoic acid, 2-hexenyl ester, (E)-
SpectraBase Compound ID 8Dk2jh7bcN7
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
InChIKey UQPLEMTXCSYMEK-VQHVLOKHSA-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 HVPEhjaRdMz
Name Hexanoic acid, 2-hexenyl ester, (E)-
Alternate Name(s) (2E)-2-Hexenyl hexanoate (E)-2-Hexenyl hexanoate Hexanoic acid, (2E)-2-hexenyl ester trans-2-Hexenyl caproate trans-2-Hexenyl caproate (hexanoate) trans-2-Hexenyl hexanoate trans-2-Hexenyl n-hexanoate [(E)-hex-2-enyl] hexanoate AI3-35968 EINECS 258-519-5
CAS Registry Number 53398-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
InChIKey UQPLEMTXCSYMEK-VQHVLOKHSA-N
Molecular Weight 198.306 g/mol
SMILES C(C(=O)OC\C=C\CCC)CCCC
SPLASH splash10-006w-9000000000-70c990e72ff425a7c9ab
Source of Spectrum AA-0-1400-1
Wiley ID 74782