| SpectraBase Spectrum ID |
7Vsa9epB6Gy |
| Name |
(Z)-2,4-bis(2,4-Dimethylphenyl)-1,3-diphenyl-2-buten-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.208930140 u |
| Formula |
C32H28O2 |
| InChI |
InChI=1S/C32H28O2/c1-21-15-17-27(23(3)19-21)30(31(33)26-13-9-6-10-14-26)29(25-11-7-5-8-12-25)32(34)28-18-16-22(2)20-24(28)4/h5-20H,1-4H3/b30-29- |
| InChIKey |
XRSVAOBQDPCSJO-FLWNBWAVSA-N |
| Molecular Weight |
444.574 g/mol |
| SMILES |
C(\C(=C\(C=1C(=CC(=CC1)C)C)C(=O)C=1C=CC=CC1)C1=CC=CC=C1)(C=1C(=CC(=CC1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960544 |
