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3-Oxocyclohexanecarboxylic acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

3-Oxocyclohexanecarboxylic acid, methyl ester
SpectraBase Compound ID IesuUizO298
InChI InChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6H,2-5H2,1H3
InChIKey MAEFSJWFUPHVPY-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Gatm3LUGrE
Name Cyclohexanecarboxylic acid, 3-oxo-, methyl ester
CAS Registry Number 13148-83-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6H,2-5H2,1H3
InChIKey MAEFSJWFUPHVPY-UHFFFAOYSA-N
Molecular Weight 156.181 g/mol
SMILES C1(=O)CC(CCC1)C(=O)OC
SPLASH splash10-06r5-9200000000-acf2b4a0e243b46f7ad5
Synonyms Methyl 3-oxocyclohexanecarboxylate 3-ketocyclohexanecarboxylic acid methyl ester 3-Oxo-1-cyclohexanecarboxylic acid methyl ester 3-Oxocyclohexanecarboxylic acid, methyl ester Methyl 3-oxidanylidenecyclohexane-1-carboxylate Methyl 3-oxocyclohexane-1-carboxylate
Wiley ID 1481731