| SpectraBase Compound ID | MyhtLJpHEM |
|---|---|
| InChI | InChI=1S/C12H9BrN2O4S/c13-9-4-6-10(7-5-9)14-20(18,19)12-3-1-2-11(8-12)15(16)17/h1-8,14H |
| InChIKey | IRMOAJDGJGZLAJ-UHFFFAOYSA-N |
| Mol Weight | 357.18 g/mol |
| Molecular Formula | C12H9BrN2O4S |
| Exact Mass | 355.946641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zbUotTnP39 |
|---|---|
| Name | 4'-Bromo-3-nitrobenzenesulfonanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.946640948 u |
| Formula | C12H9BrN2O4S |
| InChI | InChI=1S/C12H9BrN2O4S/c13-9-4-6-10(7-5-9)14-20(18,19)12-3-1-2-11(8-12)15(16)17/h1-8,14H |
| InChIKey | IRMOAJDGJGZLAJ-UHFFFAOYSA-N |
| Molecular Weight | 357.178 g/mol |
| SMILES | C1=C(C=CC=C1N(=O)=O)S(=O)(=O)NC1=CC=C(C=C1)Br |