| SpectraBase Compound ID | 6i1PMkgvujh |
|---|---|
| InChI | InChI=1S/C11H9N3O4S/c15-14(16)9-4-3-5-10(8-9)19(17,18)13-11-6-1-2-7-12-11/h1-8H,(H,12,13) |
| InChIKey | AQGKUVNMQYSMHP-UHFFFAOYSA-N |
| Mol Weight | 279.27 g/mol |
| Molecular Formula | C11H9N3O4S |
| Exact Mass | 279.031377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OcGB5Hcjml |
|---|---|
| Name | 3-Nitro-N-pyridin-2-ylbenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.031376952 u |
| Formula | C11H9N3O4S |
| InChI | InChI=1S/C11H9N3O4S/c15-14(16)9-4-3-5-10(8-9)19(17,18)13-11-6-1-2-7-12-11/h1-8H,(H,12,13) |
| InChIKey | AQGKUVNMQYSMHP-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)S(NC1=NC=CC=C1)(=O)=O)N(=O)=O |