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4,6-Dinitro-2-p-methylphenyl-1,2-benzisothiazol-3-one-1-oxide
SpectraBase Compound ID LjA2hpQzNz8
InChI InChI=1S/C14H9N3O6S/c1-8-2-4-9(5-3-8)15-14(18)13-11(17(21)22)6-10(16(19)20)7-12(13)24(15)23/h2-7H,1H3
InChIKey DNFAJEWWBFZAQF-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C14H9N3O6S
Exact Mass 347.021206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjMGpTnhmMs
Name 4,6-Dinitro-2-p-methylphenyl-1,2-benzisothiazol-3-one-1-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9N3O6S
InChI InChI=1S/C14H9N3O6S/c1-8-2-4-9(5-3-8)15-14(18)13-11(17(21)22)6-10(16(19)20)7-12(13)24(15)23/h2-7H,1H3
InChIKey DNFAJEWWBFZAQF-UHFFFAOYSA-N
Molecular Weight 347.301 g/mol
SMILES C1(N(S(c2c1c(cc(c2)N(=O)=O)N(=O)=O)=O)c1ccc(cc1)C)=O
SPLASH splash10-002b-0339000000-b94796b7b677092a569c
Source of Spectrum SO-0-1663-5
Synonyms 2-(4-Methylphenyl)-4,6-dinitro-1,2-benzisothiazol-3(2H)-one 1-oxide
Wiley ID 878622