| SpectraBase Spectrum ID |
K6Lq14YeTzl |
| Name |
3,4-Dihydroxyphenylpropionic acid, ethyl ester, di-pfp |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.047419730 u |
| Formula |
C17H12F10O6 |
| InChI |
InChI=1S/C17H12F10O6/c1-2-31-11(28)6-4-8-3-5-9(32-12(29)14(18,19)16(22,23)24)10(7-8)33-13(30)15(20,21)17(25,26)27/h3,5,7H,2,4,6H2,1H3 |
| InChIKey |
CYAWFSXIEFEWCI-UHFFFAOYSA-N |
| Molecular Weight |
502.261 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)CCC(OCC)=O)OC(=O)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901801 |
