| SpectraBase Spectrum ID |
Dk6Z7mmQDxI |
| Name |
3-(4-Hydroxyphenyl)propionic acid, o-trifluoroacetyl-, 2,2,3,3,4,4,4-heptafluoro-1-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.041940428 u |
| Formula |
C15H10F10O4 |
| InChI |
InChI=1S/C15H10F10O4/c16-12(17,14(21,22)15(23,24)25)7-28-10(26)6-3-8-1-4-9(5-2-8)29-11(27)13(18,19)20/h1-2,4-5H,3,6-7H2 |
| InChIKey |
GELYSAQHJHUSEE-UHFFFAOYSA-N |
| Molecular Weight |
444.225 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(F)(F)F)=O)CCC(=O)OCC(C(F)(F)C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954595 |
