| SpectraBase Spectrum ID |
1ydwiMvMGN1 |
| Name |
p-Coumaric acid, o-trifluoroacetyl-, 2,2,3,4,4,4-hexafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.035712233 u |
| Formula |
C15H9F9O4 |
| InChI |
InChI=1S/C15H9F9O4/c16-11(14(19,20)21)13(17,18)7-27-10(25)6-3-8-1-4-9(5-2-8)28-12(26)15(22,23)24/h1-6,11H,7H2/b6-3+ |
| InChIKey |
JFMONTSKPUPGSI-ZZXKWVIFSA-N |
| Molecular Weight |
424.219 g/mol |
| SMILES |
C1=CC(=CC=C1\C=C\C(=O)OCC(C(F)C(F)(F)F)(F)F)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830625 |
