| SpectraBase Compound ID | Dd3FeBPd5au |
|---|---|
| InChI | InChI=1S/C12H9BrClNO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H |
| InChIKey | YZRTXPOHUIZHPI-UHFFFAOYSA-N |
| Mol Weight | 346.63 g/mol |
| Molecular Formula | C12H9BrClNO2S |
| Exact Mass | 344.92259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZY2E5snTi0 |
|---|---|
| Name | 2'-Chloro-4-bromobenzenesulfonanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.922590406 u |
| Formula | C12H9BrClNO2S |
| InChI | InChI=1S/C12H9BrClNO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H |
| InChIKey | YZRTXPOHUIZHPI-UHFFFAOYSA-N |
| Molecular Weight | 346.626 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)S(=O)(=O)NC=1C(Cl)=CC=CC1 |