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Benzenesulfonic acid, 4-nitro-, 2-[3-methyl-2(3H)-benzothiazolylidene]hydrazide
SpectraBase Compound ID 5j39Pu44sjR
InChI InChI=1S/C14H12N4O4S2/c1-17-12-4-2-3-5-13(12)23-14(17)15-16-24(21,22)11-8-6-10(7-9-11)18(19)20/h2-9,16H,1H3/b15-14-
InChIKey CDSKWDVWXFDYBE-PFONDFGASA-N
Mol Weight 364.39 g/mol
Molecular Formula C14H12N4O4S2
Exact Mass 364.029997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2B95qinDbE
Name Benzenesulfonic acid, 4-nitro-, 2-[3-methyl-2(3H)-benzothiazolylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 364.029997226 u
Formula C14H12N4O4S2
InChI InChI=1S/C14H12N4O4S2/c1-17-12-4-2-3-5-13(12)23-14(17)15-16-24(21,22)11-8-6-10(7-9-11)18(19)20/h2-9,16H,1H3/b15-14-
InChIKey CDSKWDVWXFDYBE-PFONDFGASA-N
Molecular Weight 364.394 g/mol
SMILES CN1\C(=N\NS(=O)(=O)C2=CC=C(C=C2)N(=O)=O)SC2=C1C=CC=C2