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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12PeUmO7BHx
Name 4,5-DIMETHYL-2-(3-NITROBENZENESULFONYLAMINO)-ISOTHIAZOL-3-(2H)-ONE-1,1-DIOXIDE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author A.KOLBERG,J.SIELER,B.SCHULZE
Literature Reference Citation J.HETCYCL.CHEM.,36,1081(1999)
Literature Reference DOI 10.1002/jhet.5570360441
Molecular Weight 361.344 g/mol
Solvent DMSO-D6
Source File Reference UWSI24582