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2,6-bis(4-methylphenyl)-N'-[(E)-phenylmethylidene]isonicotinohydrazide
SpectraBase Compound ID FlHyBYGgfeI
InChI InChI=1S/C27H23N3O/c1-19-8-12-22(13-9-19)25-16-24(17-26(29-25)23-14-10-20(2)11-15-23)27(31)30-28-18-21-6-4-3-5-7-21/h3-18H,1-2H3,(H,30,31)/b28-18+
InChIKey TVILOUIQHMIDFM-MTDXEUNCSA-N
Mol Weight 405.5 g/mol
Molecular Formula C27H23N3O
Exact Mass 405.184112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AR5zoei5b3
Name 2,6-bis(4-Methylphenyl)-N'-[(E)-phenylmethylidene]isonicotinohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 405.184112372 u
Formula C27H23N3O
InChI InChI=1S/C27H23N3O/c1-19-8-12-22(13-9-19)25-16-24(17-26(29-25)23-14-10-20(2)11-15-23)27(31)30-28-18-21-6-4-3-5-7-21/h3-18H,1-2H3,(H,30,31)/b28-18+
InChIKey TVILOUIQHMIDFM-MTDXEUNCSA-N
Molecular Weight 405.501 g/mol
SMILES N(\N=C\C1=CC=CC=C1)C(C=1C=C(N=C(C1)C1=CC=C(C)C=C1)C=1C=CC(C)=CC1)=O