| SpectraBase Compound ID | CmVhaOSS0pK |
|---|---|
| InChI | InChI=1S/C13H9N3OS/c17-12(9-4-3-7-14-8-9)16-13-15-10-5-1-2-6-11(10)18-13/h1-8H,(H,15,16,17) |
| InChIKey | UWUNYOLFEWOXPK-UHFFFAOYSA-N |
| Mol Weight | 255.29 g/mol |
| Molecular Formula | C13H9N3OS |
| Exact Mass | 255.046633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8dKIWVxTUsE |
|---|---|
| Name | 2-(Pyridin-3-ylcarbonylamido)-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.046633095 u |
| Formula | C13H9N3OS |
| InChI | InChI=1S/C13H9N3OS/c17-12(9-4-3-7-14-8-9)16-13-15-10-5-1-2-6-11(10)18-13/h1-8H,(H,15,16,17) |
| InChIKey | UWUNYOLFEWOXPK-UHFFFAOYSA-N |
| Molecular Weight | 255.295 g/mol |
| SMILES | C1=CC=CC2=C1SC(=N2)NC(C1=CC=CN=C1)=O |