![Benzonitrile, 4-[2-(4-quinolinyl)ethenyl]-, (E)-](/api/spectrum/5aZrgAHmIa5/structure.png?h=300&w=458 "Benzonitrile, 4-[2-(4-quinolinyl)ethenyl]-, (E)-")
| SpectraBase Compound ID | 11ZKZNsqYsf |
|---|---|
| InChI | InChI=1S/C18H12N2/c19-13-15-7-5-14(6-8-15)9-10-16-11-12-20-18-4-2-1-3-17(16)18/h1-12H/b10-9+ |
| InChIKey | LEVHOBZIWHYDJR-MDZDMXLPSA-N |
| Mol Weight | 256.31 g/mol |
| Molecular Formula | C18H12N2 |
| Exact Mass | 256.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aZrgAHmIa5 |
|---|---|
| Name | Benzonitrile, 4-[2-(4-quinolinyl)ethenyl]-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.100048394 u |
| Formula | C18H12N2 |
| InChI | InChI=1S/C18H12N2/c19-13-15-7-5-14(6-8-15)9-10-16-11-12-20-18-4-2-1-3-17(16)18/h1-12H/b10-9+ |
| InChIKey | LEVHOBZIWHYDJR-MDZDMXLPSA-N |
| Molecular Weight | 256.308 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)\C=C\C1=CC=C(C=C1)C#N |