| SpectraBase Compound ID | I8mKttH5n2e |
|---|---|
| InChI | InChI=1S/C16H13ClN2O2S/c1-12-2-8-15(9-3-12)22(20,21)19-11-18-10-16(19)13-4-6-14(17)7-5-13/h2-11H,1H3 |
| InChIKey | XJBMHUNGSGOVTH-UHFFFAOYSA-N |
| Mol Weight | 332.81 g/mol |
| Molecular Formula | C16H13ClN2O2S |
| Exact Mass | 332.038627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rZz1l0L0li |
|---|---|
| Name | 5-(p-Chlorophenyl)-1-tosylimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.038626539 u |
| Formula | C16H13ClN2O2S |
| InChI | InChI=1S/C16H13ClN2O2S/c1-12-2-8-15(9-3-12)22(20,21)19-11-18-10-16(19)13-4-6-14(17)7-5-13/h2-11H,1H3 |
| InChIKey | XJBMHUNGSGOVTH-UHFFFAOYSA-N |
| Molecular Weight | 332.805 g/mol |
| SMILES | C1=NC=C(N1S(=O)(=O)C=1C=CC(C)=CC1)C=1C=CC(=CC1)Cl |