| SpectraBase Compound ID | 5oN8Q4ofrmd |
|---|---|
| InChI | InChI=1S/C17H32Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)21-17(20)16(18)19/h15-16H,3-14H2,1-2H3 |
| InChIKey | BFKLXVDBZSHXRA-UHFFFAOYSA-N |
| Mol Weight | 339.3 g/mol |
| Molecular Formula | C17H32Cl2O2 |
| Exact Mass | 338.177936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lCPaPUtAvd |
|---|---|
| Name | Dichloroacetic acid, 2-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.177935668 u |
| Formula | C17H32Cl2O2 |
| InChI | InChI=1S/C17H32Cl2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)21-17(20)16(18)19/h15-16H,3-14H2,1-2H3 |
| InChIKey | BFKLXVDBZSHXRA-UHFFFAOYSA-N |
| Molecular Weight | 339.347 g/mol |
| SMILES | CCCCCCCCCCCCCC(C)OC(=O)C(Cl)Cl |