| SpectraBase Compound ID | 3XnDkuCcfNC |
|---|---|
| InChI | InChI=1S/C13H9ClN4S/c14-10-3-5-11(6-4-10)16-13-18-17-12(19-13)9-2-1-7-15-8-9/h1-8H,(H,16,18) |
| InChIKey | WDBPECHTNCNGIO-UHFFFAOYSA-N |
| Mol Weight | 288.76 g/mol |
| Molecular Formula | C13H9ClN4S |
| Exact Mass | 288.023645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGjHX53gmoS |
|---|---|
| Name | 2-(3-Pyridyl)-5-(4-chlorophenylamino)-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.023645180 u |
| Formula | C13H9ClN4S |
| InChI | InChI=1S/C13H9ClN4S/c14-10-3-5-11(6-4-10)16-13-18-17-12(19-13)9-2-1-7-15-8-9/h1-8H,(H,16,18) |
| InChIKey | WDBPECHTNCNGIO-UHFFFAOYSA-N |
| Molecular Weight | 288.756 g/mol |
| SMILES | C=1(SC(=NN1)NC=1C=CC(=CC1)Cl)C=1C=NC=CC1 |