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4-(2,5-Dimethoxyphenyl)-2-(m-nitrophenyl)-6-phenylpyridine
SpectraBase Compound ID B1bnPm6e5sb
InChI InChI=1S/C25H20N2O4/c1-30-21-11-12-25(31-2)22(16-21)19-14-23(17-7-4-3-5-8-17)26-24(15-19)18-9-6-10-20(13-18)27(28)29/h3-16H,1-2H3
InChIKey IFILJHSCMZUQKH-UHFFFAOYSA-N
Mol Weight 412.45 g/mol
Molecular Formula C25H20N2O4
Exact Mass 412.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Sz2Lx5WcP5
Name 4-(2,5-Dimethoxyphenyl)-2-(m-nitrophenyl)-6-phenylpyridine
Comments Computed using HOSE algorithm
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Exact Mass 412.142307128 u
Formula C25H20N2O4
InChI InChI=1S/C25H20N2O4/c1-30-21-11-12-25(31-2)22(16-21)19-14-23(17-7-4-3-5-8-17)26-24(15-19)18-9-6-10-20(13-18)27(28)29/h3-16H,1-2H3
InChIKey IFILJHSCMZUQKH-UHFFFAOYSA-N
Molecular Weight 412.445 g/mol
SMILES N(=O)(=O)C=1C=CC=C(C1)C=1N=C(C=C(C1)C=1C=C(C=CC1OC)OC)C=1C=CC=CC1