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2,6-bis(4-methylphenyl)-N'-[(E)-1-phenylethylidene]isonicotinohydrazide
SpectraBase Compound ID EEo14CMNLGI
InChI InChI=1S/C28H25N3O/c1-19-9-13-23(14-10-19)26-17-25(18-27(29-26)24-15-11-20(2)12-16-24)28(32)31-30-21(3)22-7-5-4-6-8-22/h4-18H,1-3H3,(H,31,32)/b30-21+
InChIKey LBFMCUPXPGNPKD-MWAVMZGNSA-N
Mol Weight 419.53 g/mol
Molecular Formula C28H25N3O
Exact Mass 419.199762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0vnEKhOjdo
Name 2,6-bis(4-Methylphenyl)-N'-[(E)-1-phenylethylidene]isonicotinohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 419.199762436 u
Formula C28H25N3O
InChI InChI=1S/C28H25N3O/c1-19-9-13-23(14-10-19)26-17-25(18-27(29-26)24-15-11-20(2)12-16-24)28(32)31-30-21(3)22-7-5-4-6-8-22/h4-18H,1-3H3,(H,31,32)/b30-21+
InChIKey LBFMCUPXPGNPKD-MWAVMZGNSA-N
Molecular Weight 419.528 g/mol
SMILES N(\N=C\(C=1C=CC=CC1)C)C(C=1C=C(N=C(C1)C1=CC=C(C)C=C1)C=1C=CC(=CC1)C)=O