| SpectraBase Spectrum ID |
ByAmX6pXi4l |
| Name |
(2E)-1-(4-Bromophenyl)-2-(1-methyl-4,6-diphenyl-2-pyridinylidene)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.072827267 u |
| Formula |
C26H20BrNO |
| InChI |
InChI=1S/C26H20BrNO/c1-28-24(18-26(29)21-12-14-23(27)15-13-21)16-22(19-8-4-2-5-9-19)17-25(28)20-10-6-3-7-11-20/h2-18H,1H3/b24-18+ |
| InChIKey |
HBNVETIPNKUKHK-HKOYGPOVSA-N |
| Molecular Weight |
442.356 g/mol |
| SMILES |
C=1(N(\C(C=C(C1)C1=CC=CC=C1)=C/C(C=1C=CC(=CC1)Br)=O)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866162 |
