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nicotinaldehyde N,N-diphenylsemicarbazone
SpectraBase Compound ID 7avzWzpO2g6
InChI InChI=1S/C19H16N4O/c24-19(22-21-15-16-8-7-13-20-14-16)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H,(H,22,24)/b21-15+
InChIKey IENCHQRGCBZVRF-RCCKNPSSSA-N
Mol Weight 316.36 g/mol
Molecular Formula C19H16N4O
Exact Mass 316.132411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MeowbCzZel
Name Nicotinaldehyde N,N-diphenylsemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 316.132411150 u
Formula C19H16N4O
InChI InChI=1S/C19H16N4O/c24-19(22-21-15-16-8-7-13-20-14-16)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H,(H,22,24)/b21-15+
InChIKey IENCHQRGCBZVRF-RCCKNPSSSA-N
Molecular Weight 316.364 g/mol
SMILES N(\N=C\C1=CN=CC=C1)C(N(C1=CC=CC=C1)C=1C=CC=CC1)=O