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6-Nitro-3-(p-tolylsulfonyl)-1,2,3-benzoxathiazole 2,2-Dioxide
SpectraBase Compound ID CutCJj9ZBrQ
InChI InChI=1S/C13H10N2O7S2/c1-9-2-5-11(6-3-9)23(18,19)15-12-7-4-10(14(16)17)8-13(12)22-24(15,20)21/h2-8H,1H3
InChIKey XUCNUVMBOVNBJU-UHFFFAOYSA-N
Mol Weight 370.35 g/mol
Molecular Formula C13H10N2O7S2
Exact Mass 369.992943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Els4hYe0Cia
Name 6-Nitro-3-(p-tolylsulfonyl)-1,2,3-benzoxathiazole 2,2-Dioxide
Alternate Name(s) 3-[(4-methylphenyl)sulfonyl]-6-nitro-3H-1,2,3-benzoxathiazole 2,2-dioxide
CAS Registry Number 136061-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O7S2
InChI InChI=1S/C13H10N2O7S2/c1-9-2-5-11(6-3-9)23(18,19)15-12-7-4-10(14(16)17)8-13(12)22-24(15,20)21/h2-8H,1H3
InChIKey XUCNUVMBOVNBJU-UHFFFAOYSA-N
Molecular Weight 370.350 g/mol
SMILES c1(S(N2S(Oc3cc(ccc23)N(=O)=O)(=O)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-052f-9500000000-b9bcff971f7d5bd0b267
Source of Spectrum J-56-6515-8
Wiley ID 1353933