![1-Piperidin-1-yl-2-(1H-[1,2,4]triazol-3-ylsulfanyl)-ethanone](/api/spectrum/2YW5tYgdIL5/structure.png?h=300&w=458 "1-Piperidin-1-yl-2-(1H-[1,2,4]triazol-3-ylsulfanyl)-ethanone")
| SpectraBase Compound ID | Lvi3wUt0DYe |
|---|---|
| InChI | InChI=1S/C9H14N4OS/c14-8(13-4-2-1-3-5-13)6-15-9-10-7-11-12-9/h7H,1-6H2,(H,10,11,12) |
| InChIKey | LPBCOZXDWNYSSP-UHFFFAOYSA-N |
| Mol Weight | 226.3 g/mol |
| Molecular Formula | C9H14N4OS |
| Exact Mass | 226.088832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YW5tYgdIL5 |
|---|---|
| Name | 1-Piperidin-1-yl-2-(1H-[1,2,4]triazol-3-ylsulfanyl)-ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.088832260 u |
| Formula | C9H14N4OS |
| InChI | InChI=1S/C9H14N4OS/c14-8(13-4-2-1-3-5-13)6-15-9-10-7-11-12-9/h7H,1-6H2,(H,10,11,12) |
| InChIKey | LPBCOZXDWNYSSP-UHFFFAOYSA-N |
| Molecular Weight | 226.298 g/mol |
| SMILES | C1CCN(CC1)C(CSC=1N=CNN1)=O |