| SpectraBase Compound ID | H2hhQ1XBJ9W |
|---|---|
| InChI | InChI=1S/C12H10F4O3/c13-11(14)12(15,16)7-19-10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,17H,7H2/b6-3+ |
| InChIKey | ZZUYSNCHRMCIOX-ZZXKWVIFSA-N |
| Mol Weight | 278.2 g/mol |
| Molecular Formula | C12H10F4O3 |
| Exact Mass | 278.056607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kpQbTJwGtF |
|---|---|
| Name | p-Coumaric acid, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.056606831 u |
| Formula | C12H10F4O3 |
| InChI | InChI=1S/C12H10F4O3/c13-11(14)12(15,16)7-19-10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,17H,7H2/b6-3+ |
| InChIKey | ZZUYSNCHRMCIOX-ZZXKWVIFSA-N |
| Molecular Weight | 278.203 g/mol |
| SMILES | C1=CC(=CC=C1\C=C\C(=O)OCC(C(F)F)(F)F)O |