| SpectraBase Spectrum ID |
6zirfMpXVU8 |
| Name |
Caffeic acid, o,o'-bis(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 |
486.016119602 u |
| Formula |
C16H8F10O6 |
| InChI |
InChI=1S/C16H8F10O6/c17-11(18)14(19,20)6-30-10(27)4-2-7-1-3-8(31-12(28)15(21,22)23)9(5-7)32-13(29)16(24,25)26/h1-5,11H,6H2/b4-2+ |
| InChIKey |
PJBMJJNMZLNPKK-DUXPYHPUSA-N |
| Molecular Weight |
486.218 g/mol |
| SMILES |
C(\C=C\C=1C=CC(=C(C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)(=O)OCC(C(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876653 |
