| SpectraBase Spectrum ID |
5LnVQ2hV2nm |
| Name |
3-(4-Hydroxyphenyl)propionic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.054555971 u |
| Formula |
C14H11F7O4 |
| InChI |
InChI=1S/C14H11F7O4/c15-11(16)13(17,18)7-24-10(22)6-3-8-1-4-9(5-2-8)25-12(23)14(19,20)21/h1-2,4-5,11H,3,6-7H2 |
| InChIKey |
ZDYDTJZHLQUBOI-UHFFFAOYSA-N |
| Molecular Weight |
376.227 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(F)(F)F)=O)CCC(=O)OCC(C(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883619 |
