![4-(5-Octylthiophen)-2-yl-[2,2]]bipyridine](/api/spectrum/FlQgYVtAtl9/structure.png?h=300&w=458 "4-(5-Octylthiophen)-2-yl-[2,2]]bipyridine")
| SpectraBase Compound ID | IWybwD6hGNb |
|---|---|
| InChI | InChI=1S/C22H26N2S/c1-2-3-4-5-6-7-10-19-12-13-22(25-19)18-14-16-24-21(17-18)20-11-8-9-15-23-20/h8-9,11-17H,2-7,10H2,1H3 |
| InChIKey | WVEAYOABOMTDCE-UHFFFAOYSA-N |
| Mol Weight | 350.52 g/mol |
| Molecular Formula | C22H26N2S |
| Exact Mass | 350.18167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlQgYVtAtl9 |
|---|---|
| Name | 4-(5-Octylthiophen)-2-yl-[2,2]]bipyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.181670019 u |
| Formula | C22H26N2S |
| InChI | InChI=1S/C22H26N2S/c1-2-3-4-5-6-7-10-19-12-13-22(25-19)18-14-16-24-21(17-18)20-11-8-9-15-23-20/h8-9,11-17H,2-7,10H2,1H3 |
| InChIKey | WVEAYOABOMTDCE-UHFFFAOYSA-N |
| Molecular Weight | 350.524 g/mol |
| SMILES | C=1(SC(CCCCCCCC)=CC1)C1=CC(C=2N=CC=CC2)=NC=C1 |