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cis-3-Hexenyl  hexanoate
SpectraBase Compound ID 8w7nDzaCDYj
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
InChIKey RGACQXBDYBCJCY-ALCCZGGFSA-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 2VqzS2XpDs
Name Hexenyl hexenoate<3Z->
CAS Registry Number 31501-11-8
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/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
InChIKey RGACQXBDYBCJCY-ALCCZGGFSA-N
Molecular Weight 198.306 g/mol
Nominal Mass 198 u
Number of Peaks 53
SMILES C(OCC\C=C/CC)(CCCCC)=O
SPLASH splash10-00lu-9000000000-331c9a7ba251e846f891
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001732