| SpectraBase Compound ID | CJ55nB55bR9 |
|---|---|
| InChI | InChI=1S/C12H10ClN3O3S/c13-9-5-1-2-6-10(9)20(18,19)16-12(17)15-11-7-3-4-8-14-11/h1-8H,(H2,14,15,16,17) |
| InChIKey | XWYMQMMXILTFFS-UHFFFAOYSA-N |
| Mol Weight | 311.74 g/mol |
| Molecular Formula | C12H10ClN3O3S |
| Exact Mass | 311.01314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Ic2fQWI8kC |
|---|---|
| Name | Urea,1-(2-chlorophenylsulfonyl)-3-(2-pyridyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.013140065 u |
| Formula | C12H10ClN3O3S |
| InChI | InChI=1S/C12H10ClN3O3S/c13-9-5-1-2-6-10(9)20(18,19)16-12(17)15-11-7-3-4-8-14-11/h1-8H,(H2,14,15,16,17) |
| InChIKey | XWYMQMMXILTFFS-UHFFFAOYSA-N |
| Molecular Weight | 311.743 g/mol |
| SMILES | C1=CC=C(S(=O)(=O)NC(NC2=CC=CC=N2)=O)C(=C1)Cl |