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2-(3-NITROBENZENESULFONYL)-5,6,7,8-TETRAHYDRO-2H-1,2,3-BENZOTHIADIAZINE-1-OXIDE
SpectraBase Compound ID EpmG8QXmuNM
InChI InChI=1S/C13H13N3O5S2/c17-15(18)11-5-3-6-12(8-11)23(20,21)16-14-9-10-4-1-2-7-13(10)22(16)19/h3,5-6,8-9H,1-2,4,7H2
InChIKey TXVBNBRPMWPSLS-UHFFFAOYSA-N
Mol Weight 355.38 g/mol
Molecular Formula C13H13N3O5S2
Exact Mass 355.029663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqmdSLmFO7H
Name 2-(3'-Nitrobenzenesulfonyl)-5,6,7,8-tetrahydro-2H-1,2,3-benzothiadiazine - 1-Oxide
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Formula C13H13N3O5S2
InChI InChI=1S/C13H13N3O5S2/c17-15(18)11-5-3-6-12(8-11)23(20,21)16-14-9-10-4-1-2-7-13(10)22(16)19/h3,5-6,8-9H,1-2,4,7H2
InChIKey TXVBNBRPMWPSLS-UHFFFAOYSA-N
Molecular Weight 355.383 g/mol
SMILES c1(S(N2S(C=3CCCCC3C=N2)=O)(=O)=O)cc([N+]([O-])=O)ccc1
SPLASH splash10-0pk9-9400000000-48b5b162e02fbe655016
Source of Spectrum Y-36-1084-6
Wiley ID 762578