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2-[3-(4-Nitrobenzyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SpectraBase Compound ID 84Zofrnj1HE
InChI InChI=1S/C28H20N4O2/c33-32(34)25-16-14-20(15-17-25)18-21-8-7-13-24(19-21)28-30-26(22-9-3-1-4-10-22)29-27(31-28)23-11-5-2-6-12-23/h1-17,19H,18H2
InChIKey ZXLSAHXQRBIGNR-UHFFFAOYSA-N
Mol Weight 444.49 g/mol
Molecular Formula C28H20N4O2
Exact Mass 444.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IW76r1SgiKl
Name 2-[3-(4-Nitrobenzyl)phenyl]-4,6-diphenyl-1,3,5-triazine
Comments Computed using HOSE algorithm
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Exact Mass 444.158625898 u
Formula C28H20N4O2
InChI InChI=1S/C28H20N4O2/c33-32(34)25-16-14-20(15-17-25)18-21-8-7-13-24(19-21)28-30-26(22-9-3-1-4-10-22)29-27(31-28)23-11-5-2-6-12-23/h1-17,19H,18H2
InChIKey ZXLSAHXQRBIGNR-UHFFFAOYSA-N
Molecular Weight 444.494 g/mol
SMILES C=1(N=C(N=C(N1)C=1C=CC=CC1)C=1C=CC=CC1)C=1C=C(C=CC1)CC=1C=CC(=CC1)N(=O)=O