| SpectraBase Compound ID | CZqx7OSjtzr |
|---|---|
| InChI | InChI=1S/C16H30Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3 |
| InChIKey | NQUCERQXBVYQLM-UHFFFAOYSA-N |
| Mol Weight | 325.32 g/mol |
| Molecular Formula | C16H30Cl2O2 |
| Exact Mass | 324.162286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2HTen1SZiSf |
|---|---|
| Name | Dichloroacetic acid, 2-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.162285604 u |
| Formula | C16H30Cl2O2 |
| InChI | InChI=1S/C16H30Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3 |
| InChIKey | NQUCERQXBVYQLM-UHFFFAOYSA-N |
| Molecular Weight | 325.320 g/mol |
| SMILES | CCCCCCCCCCCCC(C)OC(=O)C(Cl)Cl |