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

*Links on SpectraBase are not permalinks.
[2-(1-hexanoyloxy-1-methyl-ethyl)-5-methyl-cyclohexyl] hexanoate
SpectraBase Compound ID BRe9AdNjDaB
InChI InChI=1S/C22H40O4/c1-6-8-10-12-20(23)25-19-16-17(3)14-15-18(19)22(4,5)26-21(24)13-11-9-7-2/h17-19H,6-16H2,1-5H3
InChIKey GQKADONITWSXPR-UHFFFAOYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C22H40O4
Exact Mass 368.29266 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 8YMkpqgUPPw
Name [2-(1-hexanoyloxy-1-methyl-ethyl)-5-methyl-cyclohexyl] hexanoate
Appearance Viscous colourless oily liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40O4
InChI InChI=1S/C22H40O4/c1-6-8-10-12-20(23)25-19-16-17(3)14-15-18(19)22(4,5)26-21(24)13-11-9-7-2/h17-19H,6-16H2,1-5H3
InChIKey GQKADONITWSXPR-UHFFFAOYSA-N
Instrument Name HP F5890 series-5972
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.193
Molecular Weight 368.558 g/mol
SMILES C1C(CC(C(C1)C(OC(CCCCC)=O)(C)C)OC(CCCCC)=O)C
SPLASH splash10-000b-9510000000-8647e3d3e94153b0896a
Source of Spectrum BJO-12-SM33-12
Wiley ID 1851725