| SpectraBase Spectrum ID |
BDG79tcl9xy |
| Name |
1,2,4,5-Tetraphenyl-2-pentene-1,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.161979946 u |
| Formula |
C29H22O2 |
| InChI |
InChI=1S/C29H22O2/c30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(31)25-19-11-4-12-20-25/h1-21,26H/b27-21- |
| InChIKey |
LKZRVBKNDDKCIG-MEFGMAGPSA-N |
| Molecular Weight |
402.493 g/mol |
| SMILES |
C(\C=C/(C(=O)C=1C=CC=CC1)C1=CC=CC=C1)(C(=O)C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930719 |
