| SpectraBase Spectrum ID |
3rGPF1Y7dKY |
| Name |
3-Trifluoromethylphenyl-.beta.-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.086764146 u |
| Formula |
C16H13F3O2 |
| InChI |
InChI=1S/C16H13F3O2/c17-16(18,19)13-7-4-8-14(11-13)21-15(20)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey |
FJOJWWJXFYGKNE-UHFFFAOYSA-N |
| Molecular Weight |
294.273 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(F)(F)F)OC(CCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915933 |
