| SpectraBase Compound ID | 7akqQnUKA5R |
|---|---|
| InChI | InChI=1S/C13H12N2O4S/c1-10-2-4-11(5-3-10)14-20(18,19)13-8-6-12(7-9-13)15(16)17/h2-9,14H,1H3 |
| InChIKey | AFKDMQMBJADFHR-UHFFFAOYSA-N |
| Mol Weight | 292.31 g/mol |
| Molecular Formula | C13H12N2O4S |
| Exact Mass | 292.051778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nh5HEuBaqZ |
|---|---|
| Name | N-(4-Methylphenyl)-4-nitrobenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.051778044 u |
| Formula | C13H12N2O4S |
| InChI | InChI=1S/C13H12N2O4S/c1-10-2-4-11(5-3-10)14-20(18,19)13-8-6-12(7-9-13)15(16)17/h2-9,14H,1H3 |
| InChIKey | AFKDMQMBJADFHR-UHFFFAOYSA-N |
| SMILES | C1(NS(=O)(=O)C2=CC=C(C=C2)N(=O)=O)=CC=C(C=C1)C |