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2,4-Bis(5,6-diphenyl-1,2,4-triazin-3-yl)pyridine

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2,4-Bis(5,6-diphenyl-1,2,4-triazin-3-yl)pyridine
SpectraBase Compound ID EQmQXz6CzKl
InChI InChI=1S/C35H23N7/c1-5-13-24(14-6-1)30-32(26-17-9-3-10-18-26)39-41-34(37-30)28-21-22-36-29(23-28)35-38-31(25-15-7-2-8-16-25)33(40-42-35)27-19-11-4-12-20-27/h1-23H
InChIKey VPFRKCLANRPJBN-UHFFFAOYSA-N
Mol Weight 541.6 g/mol
Molecular Formula C35H23N7
Exact Mass 541.201494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrPhbboPqy4
Name 2,4-bis(5,6-Diphenyl-1,2,4-triazin-3-yl)pyridine
Comments Computed using HOSE algorithm
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Exact Mass 541.201493769 u
Formula C35H23N7
InChI InChI=1S/C35H23N7/c1-5-13-24(14-6-1)30-32(26-17-9-3-10-18-26)39-41-34(37-30)28-21-22-36-29(23-28)35-38-31(25-15-7-2-8-16-25)33(40-42-35)27-19-11-4-12-20-27/h1-23H
InChIKey VPFRKCLANRPJBN-UHFFFAOYSA-N
Molecular Weight 541.618 g/mol
SMILES C1(=CC=CC=C1)C1=NC(=NN=C1C1=CC=CC=C1)C1=NC=CC(=C1)C1=NN=C(C(=N1)C1=CC=CC=C1)C1=CC=CC=C1