| SpectraBase Spectrum ID |
7JhpfCyuhkU |
| Name |
(E)-1,2,3,4-Tetra(4-methylphenyl)-2-butene-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/c1-21-5-13-25(14-6-21)29(31(33)27-17-9-23(3)10-18-27)30(26-15-7-22(2)8-16-26)32(34)28-19-11-24(4)12-20-28/h5-20H,1-4H3/b30-29+ |
| InChIKey |
HDLDSOLNPYFMTL-QVIHXGFCSA-N |
| Molecular Weight |
444.574 g/mol |
| SMILES |
C(\C(=C\(C(=O)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C)(=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849397 |
