| SpectraBase Spectrum ID |
8BCz2V11Qjb |
| Name |
3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.061692212 u |
| Formula |
C15H10F4O2 |
| InChI |
InChI=1S/C15H10F4O2/c1-9-3-2-4-11(7-9)21-14(20)10-5-6-12(13(16)8-10)15(17,18)19/h2-8H,1H3 |
| InChIKey |
VUIXIAQXHNJLFJ-UHFFFAOYSA-N |
| Molecular Weight |
298.237 g/mol |
| SMILES |
C1=C(C=CC(=C1F)C(F)(F)F)C(=O)OC=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920976 |
