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3-keto-7-nitro-4H-1,4-benzothiazine-2-carboxylic acid methyl ester
SpectraBase Compound ID 3BECusCsjLL
InChI InChI=1S/C10H8N2O5S/c1-17-10(14)8-9(13)11-6-3-2-5(12(15)16)4-7(6)18-8/h2-4,8H,1H3,(H,11,13)
InChIKey RBUNXTMHNVCVQG-UHFFFAOYSA-N
Mol Weight 268.24 g/mol
Molecular Formula C10H8N2O5S
Exact Mass 268.015393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hAsCLK7JoV
Name 3-keto-7-nitro-4H-1,4-benzothiazine-2-carboxylic acid methyl ester
Alternate Name(s) 7-Nitro-3-oxo-4H-1,4-benzothiazine-2-carboxylic acid methyl ester Methyl 7-nitro-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate Methyl 7-nitro-3-oxo-4H-1,4-benzothiazine-2-carboxylate
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Formula C10H8N2O5S
InChI InChI=1S/C10H8N2O5S/c1-17-10(14)8-9(13)11-6-3-2-5(12(15)16)4-7(6)18-8/h2-4,8H,1H3,(H,11,13)
InChIKey RBUNXTMHNVCVQG-UHFFFAOYSA-N
Molecular Weight 268.243 g/mol
SMILES N1c2ccc(cc2SC(C1=O)C(=O)OC)N(=O)=O
SPLASH splash10-0a4j-4970000000-cafcdd9ce998913e773b
Source of Spectrum SO-0-303-7
Wiley ID 864134