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Cyclohexanebutanoic acid, .alpha.,4-dimethyl-

View entire compound with spectra: 2 MS (GC)

Cyclohexanebutanoic acid, .alpha.,4-dimethyl-
SpectraBase Compound ID 8hIUnXL93af
InChI InChI=1S/C12H22O2/c1-9-3-6-11(7-4-9)8-5-10(2)12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKey IKSITPRWDWTZQL-UHFFFAOYSA-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 6h2vNJ6v1vE
Name Cyclohexanebutanoic acid, .alpha.,4-dimethyl-
Alternate Name(s) 2-Methyl-4-(4-methylcyclohexyl)butanoic acid 2-Methyl-4-(4-methylcyclohexyl)butyric acid 2-Methyl-4-(4-methylcyclohexyl) butyric acid
CAS Registry Number 54852-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-9-3-6-11(7-4-9)8-5-10(2)12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKey IKSITPRWDWTZQL-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES OC(C(CCC1CCC(CC1)C)C)=O
SPLASH splash10-00dl-9300000000-2adea4d862ecb7bed6e8
Source of Spectrum JX-2015-6-4869
Wiley ID 1728950