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3-(p-Bromobenzyl)-2,4,6-triphenylpyridine

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(p-Bromobenzyl)-2,4,6-triphenylpyridine
SpectraBase Compound ID 9fqfo5Fo61W
InChI InChI=1S/C30H22BrN/c31-26-18-16-22(17-19-26)20-28-27(23-10-4-1-5-11-23)21-29(24-12-6-2-7-13-24)32-30(28)25-14-8-3-9-15-25/h1-19,21H,20H2
InChIKey DLTZNCGDOBYUDD-UHFFFAOYSA-N
Mol Weight 476.42 g/mol
Molecular Formula C30H22BrN
Exact Mass 475.093563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNvjdxJL7dT
Name 3-(p-Bromobenzyl)-2,4,6-triphenylpyridine
Comments Computed using HOSE algorithm
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Exact Mass 475.093562712 u
Formula C30H22BrN
InChI InChI=1S/C30H22BrN/c31-26-18-16-22(17-19-26)20-28-27(23-10-4-1-5-11-23)21-29(24-12-6-2-7-13-24)32-30(28)25-14-8-3-9-15-25/h1-19,21H,20H2
InChIKey DLTZNCGDOBYUDD-UHFFFAOYSA-N
Molecular Weight 476.417 g/mol
SMILES C1=C(C(=C(N=C1C=1C=CC=CC1)C=1C=CC=CC1)CC=1C=CC(=CC1)Br)C=1C=CC=CC1