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(3-Oxocyclohexyl)thioacetic acid, S-t-butyl ester
SpectraBase Compound ID L9a6axovzaM
InChI InChI=1S/C12H20O2S/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h9H,4-8H2,1-3H3
InChIKey NMLHDSQNJKQXDG-UHFFFAOYSA-N
Mol Weight 228.35 g/mol
Molecular Formula C12H20O2S
Exact Mass 228.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41eWLnu5Lc
Name (3-Oxocyclohexyl)thioacetic acid, S-t-butyl ester
Alternate Name(s) 2-(3-ketocyclohexyl)ethanethioic acid S-tert-butyl ester 2-(3-oxocyclohexyl)ethanethioic acid S-tert-butyl ester S-(tert-Butyl) (3-oxocyclohexyl)ethanethioate S-tert-butyl 2-(3-oxidanylidenecyclohexyl)ethanethioate S-tert-butyl 2-(3-oxocyclohexyl)ethanethioate
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Formula C12H20O2S
InChI InChI=1S/C12H20O2S/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h9H,4-8H2,1-3H3
InChIKey NMLHDSQNJKQXDG-UHFFFAOYSA-N
Molecular Weight 228.350 g/mol
SMILES C(SC(C)(C)C)(=O)CC1CC(=O)CCC1
SPLASH splash10-052b-9300000000-549c3516722e8a0419d8
Wiley ID 1488013