![2-{[(3-methoxyphenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile](/api/spectrum/76gejjhx01j/structure.png?h=300&w=458 "2-{[(3-methoxyphenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile")
| SpectraBase Compound ID | EB4UseaF8kW |
|---|---|
| InChI | InChI=1S/C16H16N2OS/c1-11-7-12(2)18-16(15(11)9-17)20-10-13-5-4-6-14(8-13)19-3/h4-8H,10H2,1-3H3 |
| InChIKey | RUROHOOTSUVIKT-UHFFFAOYSA-N |
| Mol Weight | 284.38 g/mol |
| Molecular Formula | C16H16N2OS |
| Exact Mass | 284.098334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 76gejjhx01j |
|---|---|
| Name | 2-{[(3-methoxyphenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.098334316 u |
| Formula | C16H16N2OS |
| InChI | InChI=1S/C16H16N2OS/c1-11-7-12(2)18-16(15(11)9-17)20-10-13-5-4-6-14(8-13)19-3/h4-8H,10H2,1-3H3 |
| InChIKey | RUROHOOTSUVIKT-UHFFFAOYSA-N |
| SMILES | C(SC1=C(C(=CC(=N1)C)C)C#N)C1=CC(OC)=CC=C1 |