| SpectraBase Spectrum ID |
HYfOdQXDf5k |
| Name |
3-(4-Hydroxyphenyl)propionic 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 |
426.051362297 u |
| Formula |
C15H11F9O4 |
| InChI |
InChI=1S/C15H11F9O4/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/h1-2,4-5,11H,3,6-7H2 |
| InChIKey |
ACJVMACHCDFAMJ-UHFFFAOYSA-N |
| Molecular Weight |
426.235 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(F)(F)F)=O)CCC(=O)OCC(C(F)C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932639 |
