| SpectraBase Spectrum ID |
FfX0rbtyck7 |
| Name |
5-Phenylpentanoic acid, 2,2,2-trifluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.102414210 u |
| Formula |
C13H15F3O2 |
| InChI |
InChI=1S/C13H15F3O2/c14-13(15,16)10-18-12(17)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey |
SPSFOSXYJUHHKE-UHFFFAOYSA-N |
| Molecular Weight |
260.256 g/mol |
| SMILES |
C1=CC(=CC=C1)CCCCC(=O)OCC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94216 |
