| SpectraBase Compound ID | LeEmGgw4tsk |
|---|---|
| InChI | InChI=1S/C19H28F2O2/c1-3-5-6-7-8-9-10-11-16(4-2)23-19(22)17-13-12-15(20)14-18(17)21/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | DJJVLNMSKQMIJQ-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 | 2OCAejP3Qdn |
|---|---|
| Name | 2,4-Difluorobenzoic acid, 3-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/c1-3-5-6-7-8-9-10-11-16(4-2)23-19(22)17-13-12-15(20)14-18(17)21/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | DJJVLNMSKQMIJQ-UHFFFAOYSA-N |
| Molecular Weight | 326.428 g/mol |
| SMILES | C1=CC(=C(C=C1F)F)C(OC(CC)CCCCCCCCC)=O |