| SpectraBase Spectrum ID |
9LeJMVKmZOF |
| Name |
3-Trifluoromethylcinnamic acid, phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.071114081 u |
| Formula |
C16H11F3O2 |
| InChI |
InChI=1S/C16H11F3O2/c17-16(18,19)13-6-4-5-12(11-13)9-10-15(20)21-14-7-2-1-3-8-14/h1-11H/b10-9+ |
| InChIKey |
IUBRFAFYCVQGIO-MDZDMXLPSA-N |
| Molecular Weight |
292.257 g/mol |
| SMILES |
C1(\C=C\C(OC2=CC=CC=C2)=O)=CC=CC(=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885626 |
