For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Yq8oIX2Aqk
Name (3Z)-Hexenyl hexenoate
CAS Registry Number 31501-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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
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
Synonyms Hexenyl hexenoate<3Z->
Wiley ID 1887493