| SpectraBase Spectrum ID |
3YaQn9UVzRl |
| Name |
3-Phenylpropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.064726733 u |
| Formula |
C13H11F7O2 |
| InChI |
InChI=1S/C13H11F7O2/c14-11(15,12(16,17)13(18,19)20)8-22-10(21)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey |
KFPZYOXEVJVGBW-UHFFFAOYSA-N |
| Molecular Weight |
332.218 g/mol |
| SMILES |
C1=CC=CC(=C1)CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839787 |
