| SpectraBase Compound ID | GJ5N4fDJB5n |
|---|---|
| InChI | InChI=1S/C13H10Cl2O2S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8H,9H2 |
| InChIKey | OWFDXWCBYKXLRB-UHFFFAOYSA-N |
| Mol Weight | 301.19 g/mol |
| Molecular Formula | C13H10Cl2O2S |
| Exact Mass | 299.977856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHdbnGvROZz |
|---|---|
| Name | Chlorbenside sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.977856134 u |
| Formula | C13H10Cl2O2S |
| InChI | InChI=1S/C13H10Cl2O2S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8H,9H2 |
| InChIKey | OWFDXWCBYKXLRB-UHFFFAOYSA-N |
| SMILES | C=1(C=CC(=CC1)S(=O)(=O)CC=1C=CC(=CC1)Cl)Cl |