| SpectraBase Compound ID | Lr8fnN2XHIw |
|---|---|
| InChI | InChI=1S/C12H9ClN2O4S/c13-11-6-1-2-7-12(11)14-20(18,19)10-5-3-4-9(8-10)15(16)17/h1-8,14H |
| InChIKey | LQIWGYRYMZKQQL-UHFFFAOYSA-N |
| Mol Weight | 312.73 g/mol |
| Molecular Formula | C12H9ClN2O4S |
| Exact Mass | 311.997156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xLzeyjvomT |
|---|---|
| Name | 2'-Chloro-3-nitrobenzenesulfonanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.997155648 u |
| Formula | C12H9ClN2O4S |
| InChI | InChI=1S/C12H9ClN2O4S/c13-11-6-1-2-7-12(11)14-20(18,19)10-5-3-4-9(8-10)15(16)17/h1-8,14H |
| InChIKey | LQIWGYRYMZKQQL-UHFFFAOYSA-N |
| Molecular Weight | 312.727 g/mol |
| SMILES | C1=C(C=CC=C1N(=O)=O)S(=O)(=O)NC1=CC=CC=C1Cl |