| SpectraBase Spectrum ID |
9EtMomOYtC8 |
| Name |
Pentafluoropropionic acid, 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.052270343 u |
| Formula |
C11H9F5O2 |
| InChI |
InChI=1S/C11H9F5O2/c12-10(13,11(14,15)16)9(17)18-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey |
OFIVJHOTDZNEQQ-UHFFFAOYSA-N |
| Molecular Weight |
268.183 g/mol |
| SMILES |
C1=CC=CC=C1CCOC(=O)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944784 |
