| SpectraBase Compound ID | 5UtDCxkGhOk |
|---|---|
| InChI | InChI=1S/C21H14N2S/c1-2-13-24-21-19(15-22)18(16-9-5-3-6-10-16)14-20(23-21)17-11-7-4-8-12-17/h1,3-12,14H,13H2 |
| InChIKey | VMXYJQOMYWOXTO-UHFFFAOYSA-N |
| Mol Weight | 326.42 g/mol |
| Molecular Formula | C21H14N2S |
| Exact Mass | 326.08777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HsgkI10GSF |
|---|---|
| Name | 3-Pyridinecarbonitrile, 4,6-diphenyl-2-(2-propynylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.087769633 u |
| Formula | C21H14N2S |
| InChI | InChI=1S/C21H14N2S/c1-2-13-24-21-19(15-22)18(16-9-5-3-6-10-16)14-20(23-21)17-11-7-4-8-12-17/h1,3-12,14H,13H2 |
| InChIKey | VMXYJQOMYWOXTO-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | C1(=C(N=C(C=C1C=1C=CC=CC1)C1=CC=CC=C1)SCC#C)C#N |