![4,6-Dimethyl-2-([(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl)pyridine-3-carbonitrile](/api/spectrum/JgRxvt6Hkp8/structure.png?h=300&w=458 "4,6-Dimethyl-2-([(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl)pyridine-3-carbonitrile")
| SpectraBase Compound ID | D5Zb1lHsvad |
|---|---|
| InChI | InChI=1S/C13H14N4S/c1-8-4-9(2)17-13(11(8)5-14)18-6-12-10(3)15-7-16-12/h4,7H,6H2,1-3H3,(H,15,16) |
| InChIKey | MAOKGOBPINGSOI-UHFFFAOYSA-N |
| Mol Weight | 258.34 g/mol |
| Molecular Formula | C13H14N4S |
| Exact Mass | 258.093918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgRxvt6Hkp8 |
|---|---|
| Name | 4,6-Dimethyl-2-([(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl)pyridine-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.093917641 u |
| Formula | C13H14N4S |
| InChI | InChI=1S/C13H14N4S/c1-8-4-9(2)17-13(11(8)5-14)18-6-12-10(3)15-7-16-12/h4,7H,6H2,1-3H3,(H,15,16) |
| InChIKey | MAOKGOBPINGSOI-UHFFFAOYSA-N |
| Molecular Weight | 258.343 g/mol |
| SMILES | C(#N)C1=C(N=C(C=C1C)C)SCC=1NC=NC1C |