| SpectraBase Spectrum ID |
rREZ4z9fLT |
| Name |
5-Fluoro-3-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/c1-2-3-17-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6H,2-3H2,1H3 |
| InChIKey |
UHMOYGBVUYEYOA-UHFFFAOYSA-N |
| Molecular Weight |
250.193 g/mol |
| SMILES |
C1=C(C=C(C=C1C(OCCC)=O)C(F)(F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924268 |
