| SpectraBase Compound ID | 4uqFO5ADx9u |
|---|---|
| InChI | InChI=1S/C10H9BrN2O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13) |
| InChIKey | CIAPGWWOGQDTBG-UHFFFAOYSA-N |
| Mol Weight | 317.16 g/mol |
| Molecular Formula | C10H9BrN2O3S |
| Exact Mass | 315.951726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhA0smKZZIS |
|---|---|
| Name | 4-Bromo-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.951726329 u |
| Formula | C10H9BrN2O3S |
| InChI | InChI=1S/C10H9BrN2O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13) |
| InChIKey | CIAPGWWOGQDTBG-UHFFFAOYSA-N |
| Molecular Weight | 317.157 g/mol |
| SMILES | CC1=CC(NS(C2=CC=C(C=C2)Br)(=O)=O)=NO1 |