| SpectraBase Compound ID | AtocsaxwDRn |
|---|---|
| InChI | InChI=1S/C21H33FO2/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)24-21(23)19-16-13-14-17-20(19)22/h13-14,16-18H,3-12,15H2,1-2H3 |
| InChIKey | FSEJXEINOFTOCJ-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 | IPAAydh3eNX |
|---|---|
| Name | 2-Fluorobenzoic acid, 3-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/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)24-21(23)19-16-13-14-17-20(19)22/h13-14,16-18H,3-12,15H2,1-2H3 |
| InChIKey | FSEJXEINOFTOCJ-UHFFFAOYSA-N |
| Molecular Weight | 336.491 g/mol |
| SMILES | CCCCCCCCCCCC(CC)OC(C1=C(F)C=CC=C1)=O |