| SpectraBase Compound ID | 2UEFeb12ef2 |
|---|---|
| InChI | InChI=1S/C12H19Cl3O2/c13-12(14,15)9-17-11(16)8-4-7-10-5-2-1-3-6-10/h10H,1-9H2 |
| InChIKey | VOCUFQUIUHSTPX-UHFFFAOYSA-N |
| Mol Weight | 301.64 g/mol |
| Molecular Formula | C12H19Cl3O2 |
| Exact Mass | 300.045063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FJdJhJYIrQ |
|---|---|
| Name | 2,2,2-Trichloroethyl 4-cyclohexylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.045062950 u |
| Formula | C12H19Cl3O2 |
| InChI | InChI=1S/C12H19Cl3O2/c13-12(14,15)9-17-11(16)8-4-7-10-5-2-1-3-6-10/h10H,1-9H2 |
| InChIKey | VOCUFQUIUHSTPX-UHFFFAOYSA-N |
| SMILES | C(COC(=O)CCCC1CCCCC1)(Cl)(Cl)Cl |