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Cyclohexanepropanoic acid, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, ethyl ester
SpectraBase Compound ID K6Ng1D8E06T
InChI InChI=1S/C17H28O4/c1-6-21-15(19)9-13(5)17(16(20)11(2)3)8-7-12(4)14(18)10-17/h11-13H,6-10H2,1-5H3
InChIKey ILUJNBNMUIVGPW-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcdX6Nm5sdT
Name Cyclohexanepropanoic acid, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 3-(1-isobutyryl-4-methyl-3-oxocyclohexyl)butanoate Ethyl 3-(1-isobutyryl-4-methyl-3-oxocyclohexyl)butyrate
CAS Registry Number 37730-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-6-21-15(19)9-13(5)17(16(20)11(2)3)8-7-12(4)14(18)10-17/h11-13H,6-10H2,1-5H3
InChIKey ILUJNBNMUIVGPW-UHFFFAOYSA-N
Molecular Weight 296.407 g/mol
SMILES C1(C(=O)C(C)C)(CC(=O)C(CC1)C)C(CC(=O)OCC)C
SPLASH splash10-00bl-6920000000-8b172e46c05646160ef5
Source of Spectrum KC-72-1192-9
Wiley ID 1299168