| SpectraBase Compound ID | D5eMC7fh4Jq |
|---|---|
| InChI | InChI=1S/C12H11F3O3/c1-8(12(13,14)15)18-11(17)7-6-9-4-2-3-5-10(9)16/h2-8,16H,1H3/b7-6+ |
| InChIKey | NIPDVUOEQUIEDO-VOTSOKGWSA-N |
| Mol Weight | 260.21 g/mol |
| Molecular Formula | C12H11F3O3 |
| Exact Mass | 260.066029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GesI0xnk6yJ |
|---|---|
| Name | 2-Hydroxycinnamic 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 | 260.066028700 u |
| Formula | C12H11F3O3 |
| InChI | InChI=1S/C12H11F3O3/c1-8(12(13,14)15)18-11(17)7-6-9-4-2-3-5-10(9)16/h2-8,16H,1H3/b7-6+ |
| InChIKey | NIPDVUOEQUIEDO-VOTSOKGWSA-N |
| Molecular Weight | 260.212 g/mol |
| SMILES | C1(=CC=CC=C1\C=C\C(=O)OC(C(F)(F)F)C)O |