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4-chloro-N-{2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
SpectraBase Compound ID F4TV68kl4yL
InChI InChI=1S/C15H12Cl3N3O3S/c16-10-4-6-11(7-5-10)25(23,24)20-9-15(22)21-19-8-12-13(17)2-1-3-14(12)18/h1-8,20H,9H2,(H,21,22)/b19-8+
InChIKey FBTLUYCZOOKQKS-UFWORHAWSA-N
Mol Weight 420.7 g/mol
Molecular Formula C15H12Cl3N3O3S
Exact Mass 418.966496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GskCUxNW2hn
Name 4-Chloro-N-{2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 418.966495529 u
Formula C15H12Cl3N3O3S
InChI InChI=1S/C15H12Cl3N3O3S/c16-10-4-6-11(7-5-10)25(23,24)20-9-15(22)21-19-8-12-13(17)2-1-3-14(12)18/h1-8,20H,9H2,(H,21,22)/b19-8+
InChIKey FBTLUYCZOOKQKS-UFWORHAWSA-N
Molecular Weight 420.698 g/mol
SMILES N(\N=C\C=1C(Cl)=CC=CC1Cl)C(CNS(C1=CC=C(C=C1)Cl)(=O)=O)=O