| SpectraBase Compound ID | 5ZejB0toe3t |
|---|---|
| InChI | InChI=1S/C13H8Cl4O4S2/c14-8-1-3-10(16)12(5-8)22(18,19)7-23(20,21)13-6-9(15)2-4-11(13)17/h1-6H,7H2 |
| InChIKey | CPWFUPYLRYHOKG-UHFFFAOYSA-N |
| Mol Weight | 434.1 g/mol |
| Molecular Formula | C13H8Cl4O4S2 |
| Exact Mass | 431.861812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARcsgdARJfD |
|---|---|
| Name | bis(2,5-Dichlorophenylsulphonyl)methane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.861811882 u |
| Formula | C13H8Cl4O4S2 |
| InChI | InChI=1S/C13H8Cl4O4S2/c14-8-1-3-10(16)12(5-8)22(18,19)7-23(20,21)13-6-9(15)2-4-11(13)17/h1-6H,7H2 |
| InChIKey | CPWFUPYLRYHOKG-UHFFFAOYSA-N |
| Molecular Weight | 434.135 g/mol |
| SMILES | C1=C(C(=CC=C1Cl)Cl)S(CS(C1=C(C=CC(=C1)Cl)Cl)(=O)=O)(=O)=O |