| SpectraBase Compound ID | 7wUuEOWJ6j7 |
|---|---|
| InChI | InChI=1S/C12H8BrClN2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H |
| InChIKey | XBPNJAQHYINCJN-UHFFFAOYSA-N |
| Mol Weight | 391.62 g/mol |
| Molecular Formula | C12H8BrClN2O4S |
| Exact Mass | 389.907669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKoxtA260Fk |
|---|---|
| Name | N-(4-Bromophenyl)-4-chloro-3-nitrobenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.907668616 u |
| Formula | C12H8BrClN2O4S |
| InChI | InChI=1S/C12H8BrClN2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H |
| InChIKey | XBPNJAQHYINCJN-UHFFFAOYSA-N |
| Molecular Weight | 391.623 g/mol |
| SMILES | C1(NS(=O)(=O)C2=CC(=C(C=C2)Cl)N(=O)=O)=CC=C(C=C1)Br |