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Methyl 4-(2-methyl-3-oxocyclohexyl)butanoate
SpectraBase Compound ID 3Is3ZxJId9y
InChI InChI=1S/C12H20O3/c1-9-10(5-3-7-11(9)13)6-4-8-12(14)15-2/h9-10H,3-8H2,1-2H3
InChIKey XQVJQVBCKBUGIL-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7w24xAMsawv
Name Methyl 4-(2-methyl-3-oxocyclohexyl)butanoate
Alternate Name(s) 4-(2-Methyl-3-oxocyclohexyl)butanoic acid methyl ester 4-(3-keto-2-methyl-cyclohexyl)butyric acid methyl ester Cyclohexanebutanoic acid, 2-methyl-3-oxo-, methyl ester Methyl 4-(2-methyl-3-oxidanylidene-cyclohexyl)butanoate
CAS Registry Number 83406-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9-10(5-3-7-11(9)13)6-4-8-12(14)15-2/h9-10H,3-8H2,1-2H3
InChIKey XQVJQVBCKBUGIL-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1(=O)CCCC(C1C)CCCC(=O)OC
SPLASH splash10-03di-5900000000-a1dc86e2ebbf2dadeebe
Source of Spectrum H-65-647-0
Wiley ID 1211462