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4-keto-5-methyl-tetrahydrothiophene-3-carboxylic acid methyl ester
SpectraBase Compound ID L8xiUFLAe96
InChI InChI=1S/C7H10O3S/c1-4-6(8)5(3-11-4)7(9)10-2/h4-5H,3H2,1-2H3
InChIKey HLNPATHSTGXZRT-UHFFFAOYSA-N
Mol Weight 174.21 g/mol
Molecular Formula C7H10O3S
Exact Mass 174.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLnuVVAJl70
Name 4-keto-5-methyl-tetrahydrothiophene-3-carboxylic acid methyl ester
Alternate Name(s) 5-Methyl-4-oxo-3-thiolanecarboxylic acid methyl ester Methyl 5-methyl-4-oxidanylidene-thiolane-3-carboxylate Methyl 5-methyl-4-oxo-tetrahydrothiophene-3-carboxylate Methyl 5-methyl-4-oxothiolane-3-carboxylate
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Formula C7H10O3S
InChI InChI=1S/C7H10O3S/c1-4-6(8)5(3-11-4)7(9)10-2/h4-5H,3H2,1-2H3
InChIKey HLNPATHSTGXZRT-UHFFFAOYSA-N
Molecular Weight 174.214 g/mol
SMILES C1(C(C(C)SC1)=O)C(=O)OC
SPLASH splash10-052r-9100000000-4c5f26e4798c4ac374b2
Source of Spectrum B-48-1907-0
Wiley ID 1170118