| SpectraBase Compound ID | LXtY1EchXFD |
|---|---|
| InChI | InChI=1S/C7H5Cl3O3S/c1-14(11,12)13-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3 |
| InChIKey | PNZISFJRKQOULX-UHFFFAOYSA-N |
| Mol Weight | 275.53 g/mol |
| Molecular Formula | C7H5Cl3O3S |
| Exact Mass | 273.902498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OcuSbjuQy2 |
|---|---|
| Name | Methylsulfonic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.902498292 u |
| Formula | C7H5Cl3O3S |
| InChI | InChI=1S/C7H5Cl3O3S/c1-14(11,12)13-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3 |
| InChIKey | PNZISFJRKQOULX-UHFFFAOYSA-N |
| SMILES | CS(OC1=C(C=C(C(=C1)Cl)Cl)Cl)(=O)=O |