| SpectraBase Compound ID | JZK8zpz41hR |
|---|---|
| InChI | InChI=1S/C3H5Cl3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3 |
| InChIKey | WSOBLQNNNMEZAF-UHFFFAOYSA-N |
| Mol Weight | 227.49 g/mol |
| Molecular Formula | C3H5Cl3O3S |
| Exact Mass | 225.902498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BO26MzUoKXc |
|---|---|
| Name | Methylsulfonic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.902498292 u |
| Formula | C3H5Cl3O3S |
| InChI | InChI=1S/C3H5Cl3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3 |
| InChIKey | WSOBLQNNNMEZAF-UHFFFAOYSA-N |
| Molecular Weight | 227.489 g/mol |
| SMILES | CS(=O)(=O)OCC(Cl)(Cl)Cl |