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Methyl 5,7-dinitro-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
SpectraBase Compound ID 1A60waqulT1
InChI InChI=1S/C10H7N3O7S/c1-20-10(15)8-9(14)11-7-5(13(18)19)2-4(12(16)17)3-6(7)21-8/h2-3,8H,1H3,(H,11,14)
InChIKey BRQRASFDFJVALB-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C10H7N3O7S
Exact Mass 313.000471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 965IAnFG8Pj
Name Methyl 5,7-dinitro-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
CAS Registry Number 335434-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N3O7S
InChI InChI=1S/C10H7N3O7S/c1-20-10(15)8-9(14)11-7-5(13(18)19)2-4(12(16)17)3-6(7)21-8/h2-3,8H,1H3,(H,11,14)
InChIKey BRQRASFDFJVALB-UHFFFAOYSA-N
Molecular Weight 313.240 g/mol
SMILES N1C(C(Sc2cc(cc(c12)N(=O)=O)N(=O)=O)C(=O)OC)=O
SPLASH splash10-06si-5984000000-72a48a962a6fa6390199
Source of Spectrum SO-0-303-7
Synonyms 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-5,7-dinitro-3-oxo-, methyl ester 3-keto-5,7-dinitro-4H-1,4-benzothiazine-2-carboxylic acid methyl ester 5,7-Dinitro-3-oxo-4H-1,4-benzothiazine-2-carboxylic acid methyl ester Methyl 5,7-dinitro-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate Methyl 5,7-dinitro-3-oxo-4H-1,4-benzothiazine-2-carboxylate
Wiley ID 864133