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2-Cyclohexene-1-hexanoic acid, .alpha.-methyl-.gamma.-oxo-, methyl ester
SpectraBase Compound ID AIvc7JsjpwM
InChI InChI=1S/C14H22O3/c1-11(14(16)17-2)10-13(15)9-8-12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3
InChIKey PNSXJGJOFZWXRJ-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vJDl7OhotO
Name 2-Cyclohexene-1-hexanoic acid, .alpha.-methyl-.gamma.-oxo-, methyl ester
Alternate Name(s) Methyl 6-(2-cyclohexen-1-yl)-2-methyl-4-oxohexanoate Methyl 6-(3'-cyclohexenyl)-2-methyl-4-oxohexanoate
CAS Registry Number 126790-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-11(14(16)17-2)10-13(15)9-8-12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3
InChIKey PNSXJGJOFZWXRJ-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES C(C(CC(=O)CCC1C=CCCC1)C)(=O)OC
SPLASH splash10-0bwc-9600000000-5dd32cceb76b96032fb3
Source of Spectrum C-112-4007-12
Wiley ID 1240839