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4-Cyclohexyl-3-oxo-butanoic acid, methyl ester

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

4-Cyclohexyl-3-oxo-butanoic acid, methyl ester
SpectraBase Compound ID KILbFuAoZzb
InChI InChI=1S/C11H18O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKey RQLWLQRWDIYLKB-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QNjS6AtRdn
Name Cyclohexanebutanoic acid, .beta.-oxo-, methyl ester
CAS Registry Number 51414-42-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKey RQLWLQRWDIYLKB-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C(CC1CCCCC1)(CC(OC)=O)=O
SPLASH splash10-014i-0900000000-29365b0a91ca61db1198
Source of Spectrum C-108-7692-16
Synonyms Methyl 4-cyclohexyl-3-oxobutanoate 4-cyclohexyl-3-keto-butyric acid methyl ester 4-cyclohexyl-3-oxobutanoic acid methyl ester Methyl 4-cyclohexyl-3-oxidanylidene-butanoate
Wiley ID 1195489