| SpectraBase Spectrum ID |
9BDxCm5zBBc |
| Name |
Phenyl 2,4,5-trifluorobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.039813952 u |
| Formula |
C13H7F3O2 |
| InChI |
InChI=1S/C13H7F3O2/c14-10-7-12(16)11(15)6-9(10)13(17)18-8-4-2-1-3-5-8/h1-7H |
| InChIKey |
ASYHZLHSUJDEOE-UHFFFAOYSA-N |
| Molecular Weight |
252.192 g/mol |
| SMILES |
C=1(C(OC=2C=CC=CC2)=O)C(=CC(=C(C1)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955635 |
