| SpectraBase Compound ID | 855IadzH8an |
|---|---|
| InChI | InChI=1S/C21H32F2O2/c1-3-5-7-8-9-10-11-13-18(12-6-4-2)25-21(24)17-14-15-19(22)20(23)16-17/h14-16,18H,3-13H2,1-2H3 |
| InChIKey | HBWHTCYWKGBEEA-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H32F2O2 |
| Exact Mass | 354.237037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46JWDeRfoG7 |
|---|---|
| Name | 3,4-Difluorobenzoic acid, 5-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.237036594 u |
| Formula | C21H32F2O2 |
| InChI | InChI=1S/C21H32F2O2/c1-3-5-7-8-9-10-11-13-18(12-6-4-2)25-21(24)17-14-15-19(22)20(23)16-17/h14-16,18H,3-13H2,1-2H3 |
| InChIKey | HBWHTCYWKGBEEA-UHFFFAOYSA-N |
| Molecular Weight | 354.482 g/mol |
| SMILES | C1(=CC(=CC=C1F)C(OC(CCCC)CCCCCCCCC)=O)F |