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(2R,3S)-3-hydroxy-2-methyl-2-thianecarboxylic acid ethyl ester
SpectraBase Compound ID B2mxlG6KA10
InChI InChI=1S/C9H16O3S/c1-3-12-8(11)9(2)7(10)5-4-6-13-9/h7,10H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKey ALJGGRCTEHEABO-IONNQARKSA-N
Mol Weight 204.28 g/mol
Molecular Formula C9H16O3S
Exact Mass 204.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Yiy6Wjy79A
Name (2R,3S)-3-hydroxy-2-methyl-2-thianecarboxylic acid ethyl ester
Alternate Name(s) (2R,3S)-3-hydroxy-2-methyl-tetrahydrothiopyran-2-carboxylic acid ethyl ester Ethyl (2R,3S)-2-methyl-3-oxidanyl-thiane-2-carboxylate Ethyl (2R,3S)-3-hydroxy-2-methyl-tetrahydrothiopyran-2-carboxylate Ethyl (2R,3S)-3-hydroxy-2-methylthiane-2-carboxylate
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Formula C9H16O3S
InChI InChI=1S/C9H16O3S/c1-3-12-8(11)9(2)7(10)5-4-6-13-9/h7,10H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKey ALJGGRCTEHEABO-IONNQARKSA-N
Molecular Weight 204.284 g/mol
SMILES O[C@@]1([C@@](SCCC1)(C(=O)OCC)C)[H]
SPLASH splash10-0ppi-5930000000-ac9b18b6df170a810550
Source of Spectrum K-2001-2618-43
Wiley ID 1579772