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2-Cyclohexene-1-carboxylic acid, 1-methyl-4-oxo-, methyl ester
SpectraBase Compound ID 8ZPBWR1RAEq
InChI InChI=1S/C9H12O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h3,5H,4,6H2,1-2H3
InChIKey SVRHDMOUJKJELT-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkgEIef5tp
Name 2-Cyclohexene-1-carboxylic acid, 1-methyl-4-oxo-, methyl ester
CAS Registry Number 1523-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h3,5H,4,6H2,1-2H3
InChIKey SVRHDMOUJKJELT-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C1(C(=O)OC)(C=CC(CC1)=O)C
SPLASH splash10-0aou-0900000000-52516800e3c791543038
Source of Spectrum KC-1981-2432-0
Synonyms 1-Methyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester 4-keto-1-methyl-cyclohex-2-ene-1-carboxylic acid methyl ester Methyl 1-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Methyl 1-methyl-4-oxo-2-cyclohexene-1-carboxylate Methyl 1-methyl-4-oxo-cyclohex-2-ene-1-carboxylate
Wiley ID 1164312