| SpectraBase Compound ID | HsMS60hs6RH |
|---|---|
| InChI | InChI=1S/C13H15N3O2S/c1-8(2)12-15-16-13(19-12)14-11(17)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,16,17) |
| InChIKey | UCTWNTJVBMCDCG-UHFFFAOYSA-N |
| Mol Weight | 277.34 g/mol |
| Molecular Formula | C13H15N3O2S |
| Exact Mass | 277.088498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LbR4ngvowq |
|---|---|
| Name | N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.088497907 u |
| Formula | C13H15N3O2S |
| InChI | InChI=1S/C13H15N3O2S/c1-8(2)12-15-16-13(19-12)14-11(17)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,16,17) |
| InChIKey | UCTWNTJVBMCDCG-UHFFFAOYSA-N |
| SMILES | N(C=1SC(=NN1)C(C)C)C(C1=CC(OC)=CC=C1)=O |