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Cyclohexanepropanoic acid, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, ethyl ester, [1.alpha.(S*),4.alpha.]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

Cyclohexanepropanoic acid, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, ethyl ester, [1.alpha.(S*),4.alpha.]-(.+-.)-
SpectraBase Compound ID 5l5ba9dkaw7
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/t12-,13?,17+/m1/s1
InChIKey ILUJNBNMUIVGPW-KOHRXURCSA-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 BI7KFIU8cKI
Name Cyclohexanepropanoic acid, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, ethyl ester, [1.alpha.(S*),4.alpha.]-(.+-.)-
Alternate Name(s) Cyclohexanepropanoic acid, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, ethyl ester, [1.alpha.(s@),4.alpha.]-(.+-.)- Cyclohexanepropanoic acid, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, ethyl ester, [1.alpha.(s@),4.alpha.]-(.+/-.)- Ethyl 3-[(1S,4R)-1-isobutyryl-4-methyl-3-oxocyclohexyl]butanoate Ethyl acorate
CAS Registry Number 37730-49-7
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/t12-,13?,17+/m1/s1
InChIKey ILUJNBNMUIVGPW-KOHRXURCSA-N
Molecular Weight 296.407 g/mol
SMILES [C@]1(C(=O)C(C)C)(CC(=O)[C@@](CC1)(C)[H])C(CC(=O)OCC)C
SPLASH splash10-05bo-8930000000-c9c011de0021f11c70fa
Source of Spectrum KC-72-1192-1
Wiley ID 1299167