| SpectraBase Compound ID | 3ZwwHSPd0ED |
|---|---|
| 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 |
| Mol Weight | 292.21 g/mol |
| Molecular Formula | C12H11F3O5 |
| Exact Mass | 292.055858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ey25OvuGCLn |
|---|---|
| Name | Hydrocaffeic acid metfa @P854 |
| Comments | Computed using HOSE algorithm |
| 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 |