| SpectraBase Compound ID | I45KBsfPgOA |
|---|---|
| InChI | InChI=1S/C21H14N2S/c1-14-19(13-22)18(21-10-5-11-24-21)12-20(23-14)17-9-4-7-15-6-2-3-8-16(15)17/h2-12H,1H3 |
| InChIKey | GGUYSDAGGPFAII-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 | Fdo60gMosnR |
|---|---|
| Name | 3-Cyano-2-methyl-6-(1-naphthyl)-4-(2-thienyl)pyridine |
| 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/c1-14-19(13-22)18(21-10-5-11-24-21)12-20(23-14)17-9-4-7-15-6-2-3-8-16(15)17/h2-12H,1H3 |
| InChIKey | GGUYSDAGGPFAII-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | C=1(N=C(C)C(=C(C1)C=1SC=CC1)C#N)C1=C2C(C=CC=C2)=CC=C1 |