| SpectraBase Spectrum ID |
6c7chPZG4FV |
| Name |
3,4-di(Trifluoroacetyloxy)hydrocinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.022506950 u |
| Formula |
C13H8F6O6 |
| InChI |
InChI=1S/C13H8F6O6/c14-12(15,16)10(22)24-7-3-1-6(2-4-9(20)21)5-8(7)25-11(23)13(17,18)19/h1,3,5H,2,4H2,(H,20,21) |
| InChIKey |
YZIBBKWCHNPKMB-UHFFFAOYSA-N |
| Molecular Weight |
374.191 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CCC(=O)O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939471 |
