| SpectraBase Spectrum ID |
OPq5Dvcjpk |
| Name |
p-Coumaroyl alcohol, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.026290364 u |
| Formula |
C15H8F10O4 |
| InChI |
InChI=1S/C15H8F10O4/c16-12(17,14(20,21)22)10(26)28-7-1-2-8-3-5-9(6-4-8)29-11(27)13(18,19)15(23,24)25/h1-6H,7H2/b2-1+ |
| InChIKey |
OAKLRYBULOISJB-OWOJBTEDSA-N |
| Molecular Weight |
442.209 g/mol |
| SMILES |
C(\C=C\C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984857 |
