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3-Methyl-4-oxo-3-thianecarboxylic acid methyl ester
SpectraBase Compound ID Gxgm3BhiLTa
InChI InChI=1S/C8H12O3S/c1-8(7(10)11-2)5-12-4-3-6(8)9/h3-5H2,1-2H3
InChIKey XBTXUZBFDFXDGA-UHFFFAOYSA-N
Mol Weight 188.24 g/mol
Molecular Formula C8H12O3S
Exact Mass 188.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZQjuB4netd
Name 3-Methyl-4-oxo-3-thianecarboxylic acid methyl ester
Alternate Name(s) 4-keto-3-methyl-tetrahydrothiopyran-3-carboxylic acid methyl ester Methyl 3-methyl-4-oxidanylidene-thiane-3-carboxylate Methyl 3-methyl-4-oxo-tetrahydrothiopyran-3-carboxylate Methyl 3-methyl-4-oxotetrahydro-2H-thiopyran-3-carboxylate Methyl 3-methyl-4-oxothiane-3-carboxylate
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Formula C8H12O3S
InChI InChI=1S/C8H12O3S/c1-8(7(10)11-2)5-12-4-3-6(8)9/h3-5H2,1-2H3
InChIKey XBTXUZBFDFXDGA-UHFFFAOYSA-N
Molecular Weight 188.241 g/mol
SMILES C1(C(=O)OC)(C(=O)CCSC1)C
SPLASH splash10-004i-0900000000-eeb20637ecaab90532d9
Source of Spectrum F-47-4857-22
Wiley ID 1184234