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(2-Methyl-3-oxocyclohexyl)thioacetic acid, S-t-butyl ester
SpectraBase Compound ID 34lSuZfUEpr
InChI InChI=1S/C13H22O2S/c1-9-10(6-5-7-11(9)14)8-12(15)16-13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKey QECTYWDXSVYZOV-UHFFFAOYSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa6HUIyPOJ7
Name (2-Methyl-3-oxocyclohexyl)thioacetic acid, S-t-butyl ester
Alternate Name(s) 2-(2-Methyl-3-oxocyclohexyl)ethanethioic acid S-tert-butyl ester 2-(3-keto-2-methyl-cyclohexyl)ethanethioic acid S-tert-butyl ester S-(tert-Butyl) (2-methyl-3-oxocyclohexyl)ethanethioate S-tert-butyl 2-(2-methyl-3-oxidanylidene-cyclohexyl)ethanethioate S-tert-butyl 2-(2-methyl-3-oxo-cyclohexyl)ethanethioate
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Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-9-10(6-5-7-11(9)14)8-12(15)16-13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKey QECTYWDXSVYZOV-UHFFFAOYSA-N
Molecular Weight 242.377 g/mol
SMILES C1(=O)CCCC(C1C)CC(=O)SC(C)(C)C
SPLASH splash10-0a4i-9600000000-8ff5f9ebb73d691e02b6
Wiley ID 1481962