| SpectraBase Compound ID | 3kCpw1EKwIT |
|---|---|
| InChI | InChI=1S/C13H10N2S/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(16)15-9/h2-7H,1H3,(H,15,16) |
| InChIKey | SOTKVCNAYQJPMJ-UHFFFAOYSA-N |
| Mol Weight | 226.3 g/mol |
| Molecular Formula | C13H10N2S |
| Exact Mass | 226.05647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HO1SjPZiOmx |
|---|---|
| Name | 6-Methyl-4-phenyl-3-cyanopyridine-2(1H)-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.056469504 u |
| Formula | C13H10N2S |
| InChI | InChI=1S/C13H10N2S/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(16)15-9/h2-7H,1H3,(H,15,16) |
| InChIKey | SOTKVCNAYQJPMJ-UHFFFAOYSA-N |
| Molecular Weight | 226.297 g/mol |
| SMILES | C1(=CC(=C(C(N1)=S)C#N)C1=CC=CC=C1)C |