| SpectraBase Spectrum ID |
7Z55Dmf1bad |
| Name |
p-Coumaric acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.045134102 u |
| Formula |
C15H10F8O4 |
| InChI |
InChI=1S/C15H10F8O4/c1-8(14(18,19)20)26-11(24)7-4-9-2-5-10(6-3-9)27-12(25)13(16,17)15(21,22)23/h2-8H,1H3/b7-4+ |
| InChIKey |
DCJQCRKHKYAQJN-QPJJXVBHSA-N |
| Molecular Weight |
406.228 g/mol |
| SMILES |
C1=CC(=CC=C1\C=C\C(=O)OC(C(F)(F)F)C)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917478 |
