| SpectraBase Spectrum ID |
9Fx5O8tndVG |
| Name |
4-Trifluoromethylbenzoic acid, 2-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.086764146 u |
| Formula |
C20H13F3O2 |
| InChI |
InChI=1S/C20H13F3O2/c21-20(22,23)16-12-10-15(11-13-16)19(24)25-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H |
| InChIKey |
JIDKTWFZMPTSBY-UHFFFAOYSA-N |
| Molecular Weight |
342.317 g/mol |
| SMILES |
C1(=C(C=CC=C1)OC(C=1C=CC(C(F)(F)F)=CC1)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913632 |
