| SpectraBase Spectrum ID |
Fa3HFXXTtxt |
| Name |
2,4,5-Trifluoro-3-methoxybenzoic acid, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.066028700 u |
| Formula |
C11H11F3O3 |
| InChI |
InChI=1S/C11H11F3O3/c1-5(2)17-11(15)6-4-7(12)9(14)10(16-3)8(6)13/h4-5H,1-3H3 |
| InChIKey |
NWLHVQCFZQCHIA-UHFFFAOYSA-N |
| Molecular Weight |
248.201 g/mol |
| SMILES |
COC=1C(=C(C=C(C1F)F)C(=O)OC(C)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884589 |
