| SpectraBase Spectrum ID |
4IhHiDcgwks |
| Name |
2-Fluoro-5-trifluoromethylbenzoic acid, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.092992341 u |
| Formula |
C13H14F4O2 |
| InChI |
InChI=1S/C13H14F4O2/c1-2-3-4-7-19-12(18)10-8-9(13(15,16)17)5-6-11(10)14/h5-6,8H,2-4,7H2,1H3 |
| InChIKey |
AILLPNOUEPVZOQ-UHFFFAOYSA-N |
| Molecular Weight |
278.247 g/mol |
| SMILES |
C(COC(C1=CC(=CC=C1F)C(F)(F)F)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844169 |
