| SpectraBase Compound ID | EpKsL2geThY |
|---|---|
| InChI | InChI=1S/C9H7ClN4OS/c1-5-13-14-9(16-5)12-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,14,15) |
| InChIKey | CKOMCOHKASNWFC-UHFFFAOYSA-N |
| Mol Weight | 254.69 g/mol |
| Molecular Formula | C9H7ClN4OS |
| Exact Mass | 254.00291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 17EaZyq6jPF |
|---|---|
| Name | 2-Chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)nicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.002909734 u |
| Formula | C9H7ClN4OS |
| InChI | InChI=1S/C9H7ClN4OS/c1-5-13-14-9(16-5)12-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,14,15) |
| InChIKey | CKOMCOHKASNWFC-UHFFFAOYSA-N |
| Molecular Weight | 254.695 g/mol |
| SMILES | N(C(C=1C(=NC=CC1)Cl)=O)C=1SC(C)=NN1 |