| SpectraBase Compound ID | 1K8X0glUmpS |
|---|---|
| InChI | InChI=1S/C19H28F2O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | YIFWZXZTDAWGGQ-UHFFFAOYSA-N |
| Mol Weight | 326.43 g/mol |
| Molecular Formula | C19H28F2O2 |
| Exact Mass | 326.205736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvuebcFhb9T |
|---|---|
| Name | 3,4-Difluorobenzoic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.205736466 u |
| Formula | C19H28F2O2 |
| InChI | InChI=1S/C19H28F2O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | YIFWZXZTDAWGGQ-UHFFFAOYSA-N |
| Molecular Weight | 326.428 g/mol |
| SMILES | C(CCCCCCCCCOC(C1=CC(=C(C=C1)F)F)=O)CC |