| SpectraBase Spectrum ID |
EYcyxDzFi3V |
| Name |
(Z)-2,3-di(3-Trifluoromethylphenyl)-1,4-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 |
524.121098796 u |
| Formula |
C30H18F6O2 |
| InChI |
InChI=1S/C30H18F6O2/c31-29(32,33)23-15-7-13-21(17-23)25(27(37)19-9-3-1-4-10-19)26(28(38)20-11-5-2-6-12-20)22-14-8-16-24(18-22)30(34,35)36/h1-18H/b26-25- |
| InChIKey |
LZTOCMYDBUIJDQ-QPLCGJKRSA-N |
| Molecular Weight |
524.462 g/mol |
| SMILES |
C=1(\C(=C/(C=2C=C(C(F)(F)F)C=CC2)C(=O)C=2C=CC=CC2)C(=O)C2=CC=CC=C2)C=C(C(F)(F)F)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938223 |
