| SpectraBase Compound ID | 48mhjSUSoja |
|---|---|
| InChI | InChI=1S/C9H13N3OS/c1-6-10-9(12-11-6)14-8-5-3-2-4-7(8)13/h8H,2-5H2,1H3,(H,10,11,12) |
| InChIKey | VQFGLNSQBFOWLX-UHFFFAOYSA-N |
| Mol Weight | 211.28 g/mol |
| Molecular Formula | C9H13N3OS |
| Exact Mass | 211.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEpewovQpaR |
|---|---|
| Name | Cyclohexanone, 2-(5-methyl-1,2,4-triazol-3-ylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.077933224 u |
| Formula | C9H13N3OS |
| InChI | InChI=1S/C9H13N3OS/c1-6-10-9(12-11-6)14-8-5-3-2-4-7(8)13/h8H,2-5H2,1H3,(H,10,11,12) |
| InChIKey | VQFGLNSQBFOWLX-UHFFFAOYSA-N |
| SMILES | C=1(NC(C)=NN1)SC1CCCCC1=O |