| SpectraBase Compound ID | 6f2WOP7q4OC |
|---|---|
| InChI | InChI=1S/C13H17N3O2S2/c1-3-4-5-12-14-15-13(19-12)16-20(17,18)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,15,16) |
| InChIKey | OFWASDFJBMOHBA-UHFFFAOYSA-N |
| Mol Weight | 311.42 g/mol |
| Molecular Formula | C13H17N3O2S2 |
| Exact Mass | 311.076219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87gTroIiEaQ |
|---|---|
| Name | N-(5-Butyl-1,3,4-thiadiazol-2-yl)-p-toluenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.076219145 u |
| Formula | C13H17N3O2S2 |
| InChI | InChI=1S/C13H17N3O2S2/c1-3-4-5-12-14-15-13(19-12)16-20(17,18)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,15,16) |
| InChIKey | OFWASDFJBMOHBA-UHFFFAOYSA-N |
| SMILES | N(S(C1=CC=C(C=C1)C)(=O)=O)C=1SC(=NN1)CCCC |