| SpectraBase Compound ID | DokFYVuLRk |
|---|---|
| InChI | InChI=1S/C11H12N4OS/c1-2-3-9-14-15-11(17-9)13-10(16)8-4-6-12-7-5-8/h4-7H,2-3H2,1H3,(H,13,15,16) |
| InChIKey | BFCHCAVXVRRZOU-UHFFFAOYSA-N |
| Mol Weight | 248.3 g/mol |
| Molecular Formula | C11H12N4OS |
| Exact Mass | 248.073182 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 | K6VT2hT7lBb |
|---|---|
| Name | N-(5-Propyl-1,3,4-thiadiazol-2-yl)isonicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.073182195 u |
| Formula | C11H12N4OS |
| InChI | InChI=1S/C11H12N4OS/c1-2-3-9-14-15-11(17-9)13-10(16)8-4-6-12-7-5-8/h4-7H,2-3H2,1H3,(H,13,15,16) |
| InChIKey | BFCHCAVXVRRZOU-UHFFFAOYSA-N |
| Molecular Weight | 248.304 g/mol |
| SMILES | C=1(SC(CCC)=NN1)NC(=O)C1=CC=NC=C1 |