| SpectraBase Compound ID | 6KHRjn37IPO |
|---|---|
| InChI | InChI=1S/C6H9Cl3O3/c1-4(2)12-5(10)11-3-6(7,8)9/h4H,3H2,1-2H3 |
| InChIKey | BXVZTZVGXVIVBP-UHFFFAOYSA-N |
| Mol Weight | 235.49 g/mol |
| Molecular Formula | C6H9Cl3O3 |
| Exact Mass | 233.961727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cZzZ1AtqfE |
|---|---|
| Name | Carbonic acid, 2,2,2-trichloroethyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.961727247 u |
| Formula | C6H9Cl3O3 |
| InChI | InChI=1S/C6H9Cl3O3/c1-4(2)12-5(10)11-3-6(7,8)9/h4H,3H2,1-2H3 |
| InChIKey | BXVZTZVGXVIVBP-UHFFFAOYSA-N |
| Molecular Weight | 235.494 g/mol |
| SMILES | CC(C)OC(OCC(Cl)(Cl)Cl)=O |