| SpectraBase Compound ID | 8ManTJmqwJ1 |
|---|---|
| InChI | InChI=1S/C8H8N6OS/c15-7(13-14-5-11-12-6-14)4-16-8-9-2-1-3-10-8/h1-3,5-6H,4H2,(H,13,15) |
| InChIKey | XUHCTAOGGFFJEK-UHFFFAOYSA-N |
| Mol Weight | 236.25 g/mol |
| Molecular Formula | C8H8N6OS |
| Exact Mass | 236.04803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Kpp3VMDFGM |
|---|---|
| Name | 2-(2-Pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.048030075 u |
| Formula | C8H8N6OS |
| InChI | InChI=1S/C8H8N6OS/c15-7(13-14-5-11-12-6-14)4-16-8-9-2-1-3-10-8/h1-3,5-6H,4H2,(H,13,15) |
| InChIKey | XUHCTAOGGFFJEK-UHFFFAOYSA-N |
| SMILES | N(C(=O)CSC=1N=CC=CN1)N1C=NN=C1 |