| SpectraBase Spectrum ID |
5fhlfty52FR |
| Name |
3,4-Dihydroxyhydrocinnamic acid, o,o'-bis(heptafluorobutyryl)-, 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 |
670.028416839 u |
| Formula |
C20H11F17O6 |
| InChI |
InChI=1S/C20H11F17O6/c1-7(16(25,26)27)41-11(38)5-3-8-2-4-9(42-12(39)14(21,22)17(28,29)19(32,33)34)10(6-8)43-13(40)15(23,24)18(30,31)20(35,36)37/h2,4,6-7H,3,5H2,1H3 |
| InChIKey |
LSALELDWYJDODQ-UHFFFAOYSA-N |
| Molecular Weight |
670.275 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CCC(=O)OC(C(F)(F)F)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93924 |
