| SpectraBase Compound ID | IKEIREwjGPm |
|---|---|
| InChI | InChI=1S/C12H7Cl3O3S/c13-11-6-3-9(7-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H |
| InChIKey | WSEZTLINFKIBOX-UHFFFAOYSA-N |
| Mol Weight | 337.6 g/mol |
| Molecular Formula | C12H7Cl3O3S |
| Exact Mass | 335.918148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGP2hP4BSHx |
|---|---|
| Name | 4-(3,4-Dichlorophenoxy)benzenesulfonyl chloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.918148356 u |
| Formula | C12H7Cl3O3S |
| InChI | InChI=1S/C12H7Cl3O3S/c13-11-6-3-9(7-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H |
| InChIKey | WSEZTLINFKIBOX-UHFFFAOYSA-N |
| Molecular Weight | 337.604 g/mol |
| SMILES | C1(S(Cl)(=O)=O)=CC=C(C=C1)OC1=CC(Cl)=C(C=C1)Cl |