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benzoic acid, 4-(benzoylamino)-, 2-[(E)-(3-bromophenyl)methylidene]hydrazide
SpectraBase Compound ID KNMxKmqtFsJ
InChI InChI=1S/C21H16BrN3O2/c22-18-8-4-5-15(13-18)14-23-25-21(27)17-9-11-19(12-10-17)24-20(26)16-6-2-1-3-7-16/h1-14H,(H,24,26)(H,25,27)/b23-14+
InChIKey GTWZVDJASVCHJC-OEAKJJBVSA-N
Mol Weight 422.28 g/mol
Molecular Formula C21H16BrN3O2
Exact Mass 421.04259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LsYXR6OsbM
Name Benzoic acid, 4-(benzoylamino)-, 2-[(E)-(3-bromophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 421.042589765 u
Formula C21H16BrN3O2
InChI InChI=1S/C21H16BrN3O2/c22-18-8-4-5-15(13-18)14-23-25-21(27)17-9-11-19(12-10-17)24-20(26)16-6-2-1-3-7-16/h1-14H,(H,24,26)(H,25,27)/b23-14+
InChIKey GTWZVDJASVCHJC-OEAKJJBVSA-N
Molecular Weight 422.282 g/mol
SMILES N(C(=O)C1=CC=CC=C1)C=1C=CC(C(N\N=C\C=2C=C(Br)C=CC2)=O)=CC1