| SpectraBase Compound ID | 4f12GO54sSx |
|---|---|
| InChI | InChI=1S/C19H29FO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16H2,1H3 |
| InChIKey | XBSPICPLCDRAPN-UHFFFAOYSA-N |
| Mol Weight | 308.44 g/mol |
| Molecular Formula | C19H29FO2 |
| Exact Mass | 308.215158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdcQBfTIuWt |
|---|---|
| Name | 2-Fluorobenzoic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.215158335 u |
| Formula | C19H29FO2 |
| InChI | InChI=1S/C19H29FO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16H2,1H3 |
| InChIKey | XBSPICPLCDRAPN-UHFFFAOYSA-N |
| Molecular Weight | 308.437 g/mol |
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=CC=C1F |