| SpectraBase Compound ID | J6wZHvVZG9W |
|---|---|
| InChI | InChI=1S/C7H12Cl2O2/c1-3-5(8)4-6(9)7(10)11-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | OPZPMKVBGOTJFH-UHFFFAOYSA-N |
| Mol Weight | 199.08 g/mol |
| Molecular Formula | C7H12Cl2O2 |
| Exact Mass | 198.021435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1e6ezcwvhF |
|---|---|
| Name | Methyl 2,4-dichlorohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.021435024 u |
| Formula | C7H12Cl2O2 |
| InChI | InChI=1S/C7H12Cl2O2/c1-3-5(8)4-6(9)7(10)11-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | OPZPMKVBGOTJFH-UHFFFAOYSA-N |
| Molecular Weight | 199.077 g/mol |
| SMILES | C(C(CC(Cl)CC)Cl)(=O)OC |