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4,5-DIMETHYL-2-(3-NITROBENZENESULFONYLAMINO)-ISOTHIAZOL-3-(2H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID C6KdcRhBwuZ
InChI InChI=1S/C11H11N3O7S2/c1-7-8(2)23(20,21)13(11(7)15)12-22(18,19)10-5-3-4-9(6-10)14(16)17/h3-6,12H,1-2H3
InChIKey KGRGLFOZSUZMRR-UHFFFAOYSA-N
Mol Weight 361.34 g/mol
Molecular Formula C11H11N3O7S2
Exact Mass 361.003842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mOISQiXmKi
Name 3-Nitro-N-(1,1,3-triketo-4,5-dimethyl-isothiazol-2-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O7S2
InChI InChI=1S/C11H11N3O7S2/c1-7-8(2)23(20,21)13(11(7)15)12-22(18,19)10-5-3-4-9(6-10)14(16)17/h3-6,12H,1-2H3
InChIKey KGRGLFOZSUZMRR-UHFFFAOYSA-N
Molecular Weight 361.343 g/mol
SMILES N(N1S(C(C)=C(C1=O)C)(=O)=O)S(c1cc(N(=O)=O)ccc1)(=O)=O
SPLASH splash10-056r-9600000000-0fe356c3e3cf82e6e6fd
Source of Spectrum Y-36-1085-9
Synonyms N-(4,5-dimethyl-1,1,3-trioxo-1,2-thiazol-2-yl)-3-nitrobenzenesulfonamide N-(4,5-dimethyl-1,1,3-trioxo-2-isothiazolyl)-3-nitrobenzenesulfonamide N-(4,5-dimethyl-1,1,3-trioxo-isothiazol-2-yl)-3-nitro-benzenesulfonamide N-[4,5-dimethyl-1,1,3-tris(oxidanylidene)-1,2-thiazol-2-yl]-3-nitro-benzenesulfonamide
Wiley ID 762575