| SpectraBase Spectrum ID |
Kwafv1yqVnH |
| Name |
Hydrocaffeic acid metfa @P854 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.055857938 u |
| Formula |
C12H11F3O5 |
| InChI |
InChI=1S/C12H11F3O5/c1-19-10(17)5-3-7-2-4-9(8(16)6-7)20-11(18)12(13,14)15/h2,4,6,16H,3,5H2,1H3 |
| InChIKey |
SXJSDCIRGLZCBT-UHFFFAOYSA-N |
| Molecular Weight |
292.210 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC(C(F)(F)F)=O)O)CCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981786 |
