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

*Links on SpectraBase are not permalinks.
Isoamyl Cyclohexanecarboxylate
SpectraBase Compound ID Fd6QYcCpmm2
InChI InChI=1S/C12H22O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKey VLALRUKXGDUQFX-UHFFFAOYSA-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 575aUJhSjI
Name Isoamyl Cyclohexanecarboxylate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKey VLALRUKXGDUQFX-UHFFFAOYSA-N
Instrument Name Thermo scientific LCQ/Agilent 5975B-7890N MSD/ GCT premier
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c01169
Molecular Weight 198.306 g/mol
Reported Formula C12H22O2
SMILES C(CC(C)C)OC(=O)C1CCCCC1
SPLASH splash10-00gi-9400000000-2a58e25c9378d72394f9
Source of Spectrum JOC-86-11620-7
Thin-Layer Chromatography Rf = 0.68 (hexane/EtOAc, 10:1)
Wiley ID 1867936