| SpectraBase Spectrum ID |
I20lvALvlwn |
| Name |
3,4-di(Trifluoroacetyloxy)hydrocinnamic acid, trifluoroacetic acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.004806025 u |
| Formula |
C15H7F9O7 |
| InChI |
InChI=1S/C15H7F9O7/c16-13(17,18)10(26)29-7-3-1-6(5-8(7)30-11(27)14(19,20)21)2-4-9(25)31-12(28)15(22,23)24/h1,3,5H,2,4H2 |
| InChIKey |
GGKJBVHYVBEEDL-UHFFFAOYSA-N |
| Molecular Weight |
470.200 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CCC(=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869567 |
