| SpectraBase Spectrum ID |
1h3iLCxQ5jX |
| Name |
2-Fluoro-5-trifluoromethylbenzoic acid, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.061692212 u |
| Formula |
C11H10F4O2 |
| InChI |
InChI=1S/C11H10F4O2/c1-2-5-17-10(16)8-6-7(11(13,14)15)3-4-9(8)12/h3-4,6H,2,5H2,1H3 |
| InChIKey |
WXDAJIBVRWNYDB-UHFFFAOYSA-N |
| Molecular Weight |
250.193 g/mol |
| SMILES |
C(COC(C1=CC(C(F)(F)F)=CC=C1F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800709 |
