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Cyclohexanebutanoic acid, 3-oxo-, ethyl ester
SpectraBase Compound ID BsI89SdqnY2
InChI InChI=1S/C12H20O3/c1-2-15-12(14)8-4-6-10-5-3-7-11(13)9-10/h10H,2-9H2,1H3
InChIKey PDMAGDWIOUUWKC-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 44gGx6B2yTy
Name Cyclohexanebutanoic acid, 3-oxo-, ethyl ester
CAS Registry Number 100315-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-2-15-12(14)8-4-6-10-5-3-7-11(13)9-10/h10H,2-9H2,1H3
InChIKey PDMAGDWIOUUWKC-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C(CCCC1CC(CCC1)=O)(=O)OCC
SPLASH splash10-0002-9100000000-270cd32be36d88637176
Source of Spectrum F-54-1483-21
Synonyms Ethyl 4-(3-oxocyclohexyl)butanoate 4-(3-ketocyclohexyl)butyric acid ethyl ester 4-(3-oxocyclohexyl)butanoic acid ethyl ester Ethyl 4-(3-oxidanylidenecyclohexyl)butanoate
Wiley ID 805729