| SpectraBase Spectrum ID |
A9151KsRbZS |
| Name |
alpha-(alpha,α,alpha-Trifluoro-p-tolyl)-o-toluic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.071114081 u |
| Formula |
C15H11F3O2 |
| InChI |
InChI=1S/C15H11F3O2/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(19)20/h1-8H,9H2,(H,19,20) |
| InChIKey |
WMAUUYZSUIVAGK-UHFFFAOYSA-N |
| Molecular Weight |
280.246 g/mol |
| SMILES |
C(F)(F)(F)C=1C=CC(CC2=CC=CC=C2C(=O)O)=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.894109 |
