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1-keto-4,6-dinitro-1,2-benzothiazol-3-one
SpectraBase Compound ID KbE9qX6J7Ny
InChI InChI=1S/C7H3N3O6S/c11-7-6-4(10(14)15)1-3(9(12)13)2-5(6)17(16)8-7/h1-2H,(H,8,11)
InChIKey HEMARIRAUVSIOZ-UHFFFAOYSA-N
Mol Weight 257.18 g/mol
Molecular Formula C7H3N3O6S
Exact Mass 256.974256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTs9Uhgvn0d
Name 1-keto-4,6-dinitro-1,2-benzothiazol-3-one
Alternate Name(s) 4,6-Dinitro-1-oxidanylidene-1,2-benzothiazol-3-one 4,6-Dinitro-1-oxo-1,2-benzothiazol-3-one
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Formula C7H3N3O6S
InChI InChI=1S/C7H3N3O6S/c11-7-6-4(10(14)15)1-3(9(12)13)2-5(6)17(16)8-7/h1-2H,(H,8,11)
InChIKey HEMARIRAUVSIOZ-UHFFFAOYSA-N
Molecular Weight 257.176 g/mol
SMILES N1C(c2c(S1=O)cc(cc2N(=O)=O)N(=O)=O)=O
SPLASH splash10-00di-9520000000-56a92f7d50d8cf74280e
Source of Spectrum J-65-8443-23
Wiley ID 1533871