| SpectraBase Spectrum ID |
6vH9Z1jsjQf |
| Name |
5-Fluoro-3-trifluoromethylbenzoic acid, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.077342276 u |
| Formula |
C12H12F4O2 |
| InChI |
InChI=1S/C12H12F4O2/c1-2-3-4-18-11(17)8-5-9(12(14,15)16)7-10(13)6-8/h5-7H,2-4H2,1H3 |
| InChIKey |
LODQHGFOBHETPI-UHFFFAOYSA-N |
| Molecular Weight |
264.220 g/mol |
| SMILES |
C(COC(C1=CC(=CC(=C1)F)C(F)(F)F)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900501 |
