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4-(2-Methyl-3-oxocyclohexyl)butanoic acid ethyl ester

View entire compound with spectra: 2 MS (GC)

4-(2-Methyl-3-oxocyclohexyl)butanoic acid ethyl ester
SpectraBase Compound ID 7iYY0RX4r1V
InChI InChI=1S/C13H22O3/c1-3-16-13(15)9-5-7-11-6-4-8-12(14)10(11)2/h10-11H,3-9H2,1-2H3
InChIKey YXAMRCOYPSNWQI-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yo226uGUkH
Name 4-(2-Methyl-3-oxocyclohexyl)butanoic acid ethyl ester
CAS Registry Number 92486-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-16-13(15)9-5-7-11-6-4-8-12(14)10(11)2/h10-11H,3-9H2,1-2H3
InChIKey YXAMRCOYPSNWQI-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C1C(C(C(CC1)=O)C)CCCC(=O)OCC
SPLASH splash10-03di-8900000000-eb85c292cc86cd1504ad
Synonyms 4-(2-Methyl-3-oxocyclohexyl)butyric acid, ethyl ester 4-(3-keto-2-methyl-cyclohexyl)butyric acid ethyl ester Ethyl 4-(2-methyl-3-oxidanylidene-cyclohexyl)butanoate Ethyl 4-(2-methyl-3-oxo-cyclohexyl)butanoate
Wiley ID 1484814