| SpectraBase Compound ID | 6wBRvlg3z9F |
|---|---|
| InChI | InChI=1S/C21H30F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-27-20(26)19-17(21(23,24)25)14-13-15-18(19)22/h13-15H,2-12,16H2,1H3 |
| InChIKey | AVVWJKYNGXVWGJ-UHFFFAOYSA-N |
| Mol Weight | 390.46 g/mol |
| Molecular Formula | C21H30F4O2 |
| Exact Mass | 390.218193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvUxo3bNVN4 |
|---|---|
| Name | 6-Fluoro-2-trifluoromethylbenzoic acid, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.218192856 u |
| Formula | C21H30F4O2 |
| InChI | InChI=1S/C21H30F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-27-20(26)19-17(21(23,24)25)14-13-15-18(19)22/h13-15H,2-12,16H2,1H3 |
| InChIKey | AVVWJKYNGXVWGJ-UHFFFAOYSA-N |
| Molecular Weight | 390.463 g/mol |
| SMILES | C(CCCCCCCCCOC(C1=C(C=CC=C1C(F)(F)F)F)=O)CCC |