| SpectraBase Spectrum ID |
BA0YvIxtvgc |
| Name |
(E)-1-Phenyl-3-(4-trifluoromethylphenyl)prop-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.076199462 u |
| Formula |
C16H11F3O |
| InChI |
InChI=1S/C16H11F3O/c17-16(18,19)14-9-6-12(7-10-14)8-11-15(20)13-4-2-1-3-5-13/h1-11H/b11-8+ |
| InChIKey |
QZMAQARJRMCAPU-DHZHZOJOSA-N |
| Molecular Weight |
276.258 g/mol |
| SMILES |
C(C=1C=CC(\C=C\C(=O)C2=CC=CC=C2)=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905713 |
