| SpectraBase Spectrum ID |
JzB31sEBsPp |
| Name |
Trans-2-hydroxycinnamic acid, o-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.026449516 u |
| Formula |
C12H7F5O4 |
| InChI |
InChI=1S/C12H7F5O4/c13-11(14,12(15,16)17)10(20)21-8-4-2-1-3-7(8)5-6-9(18)19/h1-6H,(H,18,19)/b6-5+ |
| InChIKey |
NKDHSDOGPAKJNQ-AATRIKPKSA-N |
| Molecular Weight |
310.176 g/mol |
| SMILES |
C1(=CC=CC=C1\C=C\C(=O)O)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90253 |
