| SpectraBase Compound ID | 7XqhcTeyYrP |
|---|---|
| InChI | InChI=1S/C12H8Cl3NO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(14)3-6-11(12)15/h1-7,16H |
| InChIKey | KIQLUMVBJRWUED-UHFFFAOYSA-N |
| Mol Weight | 336.62 g/mol |
| Molecular Formula | C12H8Cl3NO2S |
| Exact Mass | 334.934133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRYmE0dWLdx |
|---|---|
| Name | N-(4-Chlorophenyl) 2,5-dichlorobenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.934132774 u |
| Formula | C12H8Cl3NO2S |
| InChI | InChI=1S/C12H8Cl3NO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(14)3-6-11(12)15/h1-7,16H |
| InChIKey | KIQLUMVBJRWUED-UHFFFAOYSA-N |
| Molecular Weight | 336.620 g/mol |
| SMILES | N(S(c1cc(ccc1Cl)Cl)(=O)=O)c1ccc(cc1)Cl |