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METHYL-3-(2-HYDROXY-2H-1,4-BENZOTHIAZIN-3(4H)-ON-2-YL)-PROPIONATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

METHYL-3-(2-HYDROXY-2H-1,4-BENZOTHIAZIN-3(4H)-ON-2-YL)-PROPIONATE
SpectraBase Compound ID EM9tevFpeky
InChI InChI=1S/C12H13NO4S/c1-17-10(14)6-7-12(16)11(15)13-8-4-2-3-5-9(8)18-12/h2-5,16H,6-7H2,1H3,(H,13,15)
InChIKey FBYDELXEXLPYJG-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkfsqRj0tP0
Name 3-(2-hydroxy-3-keto-4H-1,4-benzothiazin-2-yl)propionic acid methyl ester
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Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c1-17-10(14)6-7-12(16)11(15)13-8-4-2-3-5-9(8)18-12/h2-5,16H,6-7H2,1H3,(H,13,15)
InChIKey FBYDELXEXLPYJG-UHFFFAOYSA-N
Molecular Weight 267.299 g/mol
SMILES N1c2c(SC(C1=O)(CCC(=O)OC)O)cccc2
SPLASH splash10-0udl-0930000000-1c44b1634b21cfe663e9
Source of Spectrum Y-34-454-4
Synonyms 3-(2-hydroxy-3-oxo-4H-1,4-benzothiazin-2-yl)propanoic acid methyl ester Methyl 3-(2-hydroxy-3-oxo-4H-1,4-benzothiazin-2-yl)propanoate Methyl 3-(2-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)propanoate
Wiley ID 1270999