| SpectraBase Compound ID | IP3LUDv1bMR |
|---|---|
| InChI | InChI=1S/C22H14N2/c23-15-16-10-12-18(13-11-16)22-14-20(17-6-2-1-3-7-17)19-8-4-5-9-21(19)24-22/h1-14H |
| InChIKey | NSZOPDYRVXCHBU-UHFFFAOYSA-N |
| Mol Weight | 306.37 g/mol |
| Molecular Formula | C22H14N2 |
| Exact Mass | 306.115698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KuCyJbQ3ol4 |
|---|---|
| Name | 4-(4-Phenyl-2-quinolinyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.115698459 u |
| Formula | C22H14N2 |
| InChI | InChI=1S/C22H14N2/c23-15-16-10-12-18(13-11-16)22-14-20(17-6-2-1-3-7-17)19-8-4-5-9-21(19)24-22/h1-14H |
| InChIKey | NSZOPDYRVXCHBU-UHFFFAOYSA-N |
| Molecular Weight | 306.368 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C1=CC=CC=C1)=CC(=N2)C1=CC=C(C=C1)C#N |