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2,3-Dimethyl-5-oxohexanethioic acid S-tert-butyl ester
SpectraBase Compound ID J40TM87XKLQ
InChI InChI=1S/C12H22O2S/c1-8(7-9(2)13)10(3)11(14)15-12(4,5)6/h8,10H,7H2,1-6H3
InChIKey XIAZFPHYPMZIPS-UHFFFAOYSA-N
Mol Weight 230.37 g/mol
Molecular Formula C12H22O2S
Exact Mass 230.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NwlxHTNCzE
Name 2,3-Dimethyl-5-oxohexanethioic acid S-tert-butyl ester
Alternate Name(s) 2,3-Dimethyl-5-oxohexanethioic acid, S-t-butyl ester 5-keto-2,3-dimethyl-hexanethioic acid S-tert-butyl ester S-tert-butyl 2,3-dimethyl-5-oxidanylidene-hexanethioate S-tert-butyl 2,3-dimethyl-5-oxo-hexanethioate
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Formula C12H22O2S
InChI InChI=1S/C12H22O2S/c1-8(7-9(2)13)10(3)11(14)15-12(4,5)6/h8,10H,7H2,1-6H3
InChIKey XIAZFPHYPMZIPS-UHFFFAOYSA-N
Molecular Weight 230.366 g/mol
SMILES C(SC(C)(C)C)(C(C(CC(=O)C)C)C)=O
SPLASH splash10-0006-9500000000-4f2f9d3da6dcd985fb20
Wiley ID 1488202