| SpectraBase Compound ID | EpdWhRJ2a4O |
|---|---|
| InChI | InChI=1S/C21H33FO2/c1-3-5-6-7-8-9-10-11-16-20(13-4-2)24-21(23)18-14-12-15-19(22)17-18/h12,14-15,17,20H,3-11,13,16H2,1-2H3 |
| InChIKey | FHJFXCBNLKMYEA-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H33FO2 |
| Exact Mass | 336.246458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16CJQgUxYkB |
|---|---|
| Name | 3-Fluorobenzoic acid, 4-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.246458464 u |
| Formula | C21H33FO2 |
| InChI | InChI=1S/C21H33FO2/c1-3-5-6-7-8-9-10-11-16-20(13-4-2)24-21(23)18-14-12-15-19(22)17-18/h12,14-15,17,20H,3-11,13,16H2,1-2H3 |
| InChIKey | FHJFXCBNLKMYEA-UHFFFAOYSA-N |
| Molecular Weight | 336.491 g/mol |
| SMILES | CCCC(OC(=O)C=1C=CC=C(F)C1)CCCCCCCCCC |