| SpectraBase Spectrum ID |
EAn2EWYYSWW |
| Name |
Trans-2-hydroxycinnamic acid, o-pentafluoropropionyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.042099581 u |
| Formula |
C13H9F5O4 |
| InChI |
InChI=1S/C13H9F5O4/c1-21-10(19)7-6-8-4-2-3-5-9(8)22-11(20)12(14,15)13(16,17)18/h2-7H,1H3/b7-6+ |
| InChIKey |
YRGLAMXTUFOSFU-VOTSOKGWSA-N |
| Molecular Weight |
324.203 g/mol |
| SMILES |
C1(=CC=CC=C1\C=C\C(=O)OC)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818541 |
