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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 vuk8OpRg
Name Hexenyl caproate<2E->
CAS Registry Number 53398-86-0
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 198.161979946 u
Formula C12H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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
Nominal Mass 198 u
Number of Peaks 86
SMILES C(OC\C=C\CCC)(CCCCC)=O
SPLASH splash10-0005-9000000000-7310e94e9256e82e75ec
Source ex BEDOUKIAN CHEM.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001730