| SpectraBase Compound ID | 7EKU803OV8J |
|---|---|
| InChI | InChI=1S/C13H15N3OS/c1-9(2)12(17)14-13-16-15-11(18-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17) |
| InChIKey | HHHYBSCMLRAWGG-UHFFFAOYSA-N |
| Mol Weight | 261.34 g/mol |
| Molecular Formula | C13H15N3OS |
| Exact Mass | 261.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rQdlf1Q9yn |
|---|---|
| Name | N-(5-Benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.093583288 u |
| Formula | C13H15N3OS |
| InChI | InChI=1S/C13H15N3OS/c1-9(2)12(17)14-13-16-15-11(18-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17) |
| InChIKey | HHHYBSCMLRAWGG-UHFFFAOYSA-N |
| Molecular Weight | 261.343 g/mol |
| SMILES | N(C=1SC(CC2=CC=CC=C2)=NN1)C(=O)C(C)C |