| SpectraBase Compound ID | 6aRz7dmKxiI |
|---|---|
| InChI | InChI=1S/C21H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18H2,1H3 |
| InChIKey | LXONWJLNTHHNDF-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 | IQjsdDpTFXf |
|---|---|
| Name | 4-Fluorobenzoic acid, 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18H2,1H3 |
| InChIKey | LXONWJLNTHHNDF-UHFFFAOYSA-N |
| Molecular Weight | 336.491 g/mol |
| SMILES | CCCCCCCCCCCCCCOC(=O)C=1C=CC(F)=CC1 |