![(rac)-4-(4'-Pyridyl)[2.2]paracyclophane](/api/spectrum/FvQxsnyJb1F/structure.png?h=300&w=458 "(rac)-4-(4'-Pyridyl)[2.2]paracyclophane")
| SpectraBase Compound ID | 8EYfOdvTWSk |
|---|---|
| InChI | InChI=1S/C21H19N/c1-3-17-4-2-16(1)5-6-18-8-10-19(9-7-17)21(15-18)20-11-13-22-14-12-20/h1-4,8,10-15H,5-7,9H2 |
| InChIKey | KMTTZSIPTTZKET-UHFFFAOYSA-N |
| Mol Weight | 285.39 g/mol |
| Molecular Formula | C21H19N |
| Exact Mass | 285.15175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvQxsnyJb1F |
|---|---|
| Name | (rac)-4-(4'-Pyridyl)[2.2]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.151749616 u |
| Formula | C21H19N |
| InChI | InChI=1S/C21H19N/c1-3-17-4-2-16(1)5-6-18-8-10-19(9-7-17)21(15-18)20-11-13-22-14-12-20/h1-4,8,10-15H,5-7,9H2 |
| InChIKey | KMTTZSIPTTZKET-UHFFFAOYSA-N |
| SMILES | C12=CC=C(C(=C2)C2=CC=NC=C2)CCC=2C=CC(=CC2)CC1 |