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4-bromo-N-(4-{[(2E)-2-(3-bromobenzylidene)hydrazino]carbonyl}phenyl)benzamide

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4-bromo-N-(4-{[(2E)-2-(3-bromobenzylidene)hydrazino]carbonyl}phenyl)benzamide
SpectraBase Compound ID 91IWNORr8bw
InChI InChI=1S/C21H15Br2N3O2/c22-17-8-4-15(5-9-17)20(27)25-19-10-6-16(7-11-19)21(28)26-24-13-14-2-1-3-18(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKey DMKVXXYGIWJTCF-ZMOGYAJESA-N
Mol Weight 501.18 g/mol
Molecular Formula C21H15Br2N3O2
Exact Mass 498.953103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsREGvb2mDe
Name 4-Bromo-N-(4-{[(2E)-2-(3-bromobenzylidene)hydrazino]carbonyl}phenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 498.953102733 u
Formula C21H15Br2N3O2
InChI InChI=1S/C21H15Br2N3O2/c22-17-8-4-15(5-9-17)20(27)25-19-10-6-16(7-11-19)21(28)26-24-13-14-2-1-3-18(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKey DMKVXXYGIWJTCF-ZMOGYAJESA-N
Molecular Weight 501.178 g/mol
SMILES N(C(C=1C=CC(Br)=CC1)=O)C1=CC=C(C(N\N=C\C2=CC(Br)=CC=C2)=O)C=C1