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2-(3-Oxocyclohexyl)thiopropionic acid, S-t-butyl ester
SpectraBase Compound ID IHGm3sjFCZQ
InChI InChI=1S/C13H22O2S/c1-9(12(15)16-13(2,3)4)10-6-5-7-11(14)8-10/h9-10H,5-8H2,1-4H3
InChIKey VYOLLXPWPUEEPL-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 1lO8HKjJO5F
Name 2-(3-Oxocyclohexyl)thiopropionic acid, S-t-butyl ester
Alternate Name(s) 2-(3-ketocyclohexyl)propanethioic acid S-tert-butyl ester 2-(3-oxocyclohexyl)propanethioic acid S-tert-butyl ester S-tert-butyl 2-(3-oxidanylidenecyclohexyl)propanethioate S-tert-butyl 2-(3-oxocyclohexyl)propanethioate
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Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-9(12(15)16-13(2,3)4)10-6-5-7-11(14)8-10/h9-10H,5-8H2,1-4H3
InChIKey VYOLLXPWPUEEPL-UHFFFAOYSA-N
Molecular Weight 242.377 g/mol
SMILES C1(=O)CCCC(C1)C(C)C(=O)SC(C)(C)C
SPLASH splash10-0a6r-9500000000-31a17e23c90f650a03f1
Wiley ID 1481960