| SpectraBase Compound ID | 2KwBlkMmARN |
|---|---|
| InChI | InChI=1S/C18H27FO2/c1-2-3-4-5-6-7-8-9-10-14-21-18(20)16-12-11-13-17(19)15-16/h11-13,15H,2-10,14H2,1H3 |
| InChIKey | COICIFBDVWVBHR-UHFFFAOYSA-N |
| Mol Weight | 294.41 g/mol |
| Molecular Formula | C18H27FO2 |
| Exact Mass | 294.199508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BuMwoOxQtp |
|---|---|
| Name | 3-Fluorobenzoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.199508270 u |
| Formula | C18H27FO2 |
| InChI | InChI=1S/C18H27FO2/c1-2-3-4-5-6-7-8-9-10-14-21-18(20)16-12-11-13-17(19)15-16/h11-13,15H,2-10,14H2,1H3 |
| InChIKey | COICIFBDVWVBHR-UHFFFAOYSA-N |
| Molecular Weight | 294.410 g/mol |
| SMILES | C(CCCCCCCCCC)OC(=O)C1=CC=CC(=C1)F |