| SpectraBase Spectrum ID |
2zAQfPrMz7C |
| Name |
(Z)-2,4-di(2,4,6-Trimethylphenyl)-1,3-diphenyl-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 |
472.240230268 u |
| Formula |
C34H32O2 |
| InChI |
InChI=1S/C34H32O2/c1-21-17-23(3)29(24(4)18-21)32(33(35)28-15-11-8-12-16-28)31(27-13-9-7-10-14-27)34(36)30-25(5)19-22(2)20-26(30)6/h7-20H,1-6H3/b32-31- |
| InChIKey |
ONIBQRFTOFNCQS-MVJHLKBCSA-N |
| Molecular Weight |
472.628 g/mol |
| SMILES |
C(\C(=C\(C=1C(=CC(=CC1C)C)C)C(=O)C=1C=CC=CC1)C1=CC=CC=C1)(C1=C(C=C(C=C1C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951635 |
