| SpectraBase Spectrum ID |
1pGknBbgCw4 |
| Name |
1-(2'-Aminophenyl)-4-(p-bromophenyl)-2,6-diphenyl-1,4-dihydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.104461749 u |
| Formula |
C29H23BrN2 |
| InChI |
InChI=1S/C29H23BrN2/c30-25-17-15-21(16-18-25)24-19-28(22-9-3-1-4-10-22)32(27-14-8-7-13-26(27)31)29(20-24)23-11-5-2-6-12-23/h1-20,24H,31H2 |
| InChIKey |
WNFKJIOLFPSTRG-UHFFFAOYSA-N |
| Molecular Weight |
479.421 g/mol |
| SMILES |
C=1(N(C(=CC(C1)C=1C=CC(=CC1)Br)C1=CC=CC=C1)C=1C(N)=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908574 |
