| SpectraBase Spectrum ID |
5u0BMpOlPa8 |
| Name |
3-(4-Hydroxyphenyl)propionic 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 |
408.060784166 u |
| Formula |
C15H12F8O4 |
| InChI |
InChI=1S/C15H12F8O4/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/h2-3,5-6,8H,4,7H2,1H3 |
| InChIKey |
SYBSAWXLNSWLIS-UHFFFAOYSA-N |
| Molecular Weight |
408.244 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)CCC(=O)OC(C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932822 |
