| SpectraBase Spectrum ID |
5nGssACLUXF |
| Name |
3-(4-Hydroxyphenyl)propionic acid, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.042099581 u |
| Formula |
C12H9F5O4 |
| InChI |
InChI=1S/C12H9F5O4/c13-11(14,12(15,16)17)10(20)21-8-4-1-7(2-5-8)3-6-9(18)19/h1-2,4-5H,3,6H2,(H,18,19) |
| InChIKey |
LAGIHEJEYXGHGM-UHFFFAOYSA-N |
| Molecular Weight |
312.192 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)CCC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885493 |
