| SpectraBase Compound ID | 6xN9m9o1ZwL |
|---|---|
| InChI | InChI=1S/C22H35FO2/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)25-22(24)20-17-14-15-18-21(20)23/h14-15,17-19H,3-13,16H2,1-2H3 |
| InChIKey | CALRRNVDQHHNJV-UHFFFAOYSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C22H35FO2 |
| Exact Mass | 350.262109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rSpaXEaoi2 |
|---|---|
| Name | 2-Fluorobenzoic acid, 3-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.262108528 u |
| Formula | C22H35FO2 |
| InChI | InChI=1S/C22H35FO2/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)25-22(24)20-17-14-15-18-21(20)23/h14-15,17-19H,3-13,16H2,1-2H3 |
| InChIKey | CALRRNVDQHHNJV-UHFFFAOYSA-N |
| Molecular Weight | 350.518 g/mol |
| SMILES | CCC(OC(C1=C(F)C=CC=C1)=O)CCCCCCCCCCCC |