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benzoic acid, 4-[(2-bromobenzoyl)amino]-, 2-[(E)-(4-cyanophenyl)methylidene]hydrazide
SpectraBase Compound ID 38teSChVTwE
InChI InChI=1S/C22H15BrN4O2/c23-20-4-2-1-3-19(20)22(29)26-18-11-9-17(10-12-18)21(28)27-25-14-16-7-5-15(13-24)6-8-16/h1-12,14H,(H,26,29)(H,27,28)/b25-14+
InChIKey CXQMERCSSNIUMI-AFUMVMLFSA-N
Mol Weight 447.29 g/mol
Molecular Formula C22H15BrN4O2
Exact Mass 446.037839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1wbWS3fFnU
Name Benzoic acid, 4-[(2-bromobenzoyl)amino]-, 2-[(E)-(4-cyanophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 446.037838737 u
Formula C22H15BrN4O2
InChI InChI=1S/C22H15BrN4O2/c23-20-4-2-1-3-19(20)22(29)26-18-11-9-17(10-12-18)21(28)27-25-14-16-7-5-15(13-24)6-8-16/h1-12,14H,(H,26,29)(H,27,28)/b25-14+
InChIKey CXQMERCSSNIUMI-AFUMVMLFSA-N
Molecular Weight 447.292 g/mol
SMILES N(C(C1=C(Br)C=CC=C1)=O)C=1C=CC(C(N\N=C\C=2C=CC(C#N)=CC2)=O)=CC1