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1,2-Benzisothiazol-3(2H)-one, 4-amino-6-nitro-2-phenyl-
SpectraBase Compound ID CBhLcYGifgG
InChI InChI=1S/C13H9N3O3S/c14-10-6-9(16(18)19)7-11-12(10)13(17)15(20-11)8-4-2-1-3-5-8/h1-7H,14H2
InChIKey YPVDDVQTLYYEGO-UHFFFAOYSA-N
Mol Weight 287.29 g/mol
Molecular Formula C13H9N3O3S
Exact Mass 287.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29bVlDC3t83
Name 1,2-Benzisothiazol-3(2H)-one, 4-amino-6-nitro-2-phenyl-
Alternate Name(s) 4-Amino-6-nitro-2-phenyl-1,2-benzisothiazol-3(2H)-one 4-Amino-6-nitro-2-phenyl-1,2-benzothiazol-3-one 4-Azanyl-6-nitro-2-phenyl-1,2-benzothiazol-3-one
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Formula C13H9N3O3S
InChI InChI=1S/C13H9N3O3S/c14-10-6-9(16(18)19)7-11-12(10)13(17)15(20-11)8-4-2-1-3-5-8/h1-7H,14H2
InChIKey YPVDDVQTLYYEGO-UHFFFAOYSA-N
Molecular Weight 287.293 g/mol
SMILES Nc1c2C(N(Sc2cc(N(=O)=O)c1)c1ccccc1)=O
SPLASH splash10-000l-9360000000-03b8a0a5514d4a309679
Wiley ID 1457472