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2,1,3-Benzothiadiazole, 5-[(4-methylphenyl)sulfonyl]-4-nitro-
SpectraBase Compound ID 35I5X69BLbo
InChI InChI=1S/C13H9N3O4S2/c1-8-2-4-9(5-3-8)22(19,20)11-7-6-10-12(15-21-14-10)13(11)16(17)18/h2-7H,1H3
InChIKey OXRDDZNUTMKRKU-UHFFFAOYSA-N
Mol Weight 335.35 g/mol
Molecular Formula C13H9N3O4S2
Exact Mass 335.003448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYSoaXJd5pY
Name 2,1,3-Benzothiadiazole, 5-[(4-methylphenyl)sulfonyl]-4-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9N3O4S2
InChI InChI=1S/C13H9N3O4S2/c1-8-2-4-9(5-3-8)22(19,20)11-7-6-10-12(15-21-14-10)13(11)16(17)18/h2-7H,1H3
InChIKey OXRDDZNUTMKRKU-UHFFFAOYSA-N
Molecular Weight 335.352 g/mol
SMILES c12ccc(c(c2nsn1)N(=O)=O)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4l-9730000000-b3eca887da164178ab49
Source of Spectrum IY-1-4527-9
Synonyms 4-Nitro-5-(p-tolylsulfonyl)-2,1,3-benzothiadiazole 5-(4-Methylphenyl)sulfonyl-4-nitro-2,1,3-benzothiadiazole
Wiley ID 1653262