| SpectraBase Compound ID | IM8uGneAN3Q |
|---|---|
| InChI | InChI=1S/C13H13F3O4/c1-8(13(14,15)16)20-12(18)6-4-9-3-5-11(19-2)10(17)7-9/h3-8,17H,1-2H3/b6-4+ |
| InChIKey | HPLVUDFDRMUURU-GQCTYLIASA-N |
| Mol Weight | 290.24 g/mol |
| Molecular Formula | C13H13F3O4 |
| Exact Mass | 290.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8XkplutHGu |
|---|---|
| Name | 3-Hydroxy-4-methoxycinnamic acid, 1,1,1-trifluoro-2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.076593384 u |
| Formula | C13H13F3O4 |
| InChI | InChI=1S/C13H13F3O4/c1-8(13(14,15)16)20-12(18)6-4-9-3-5-11(19-2)10(17)7-9/h3-8,17H,1-2H3/b6-4+ |
| InChIKey | HPLVUDFDRMUURU-GQCTYLIASA-N |
| Molecular Weight | 290.238 g/mol |
| SMILES | C1=C(C=CC(=C1O)OC)\C=C\C(OC(C(F)(F)F)C)=O |