![4-(4'-Tolyl)-[2.2]paracyclophane](/api/spectrum/D8Arm6JOpL9/structure.png?h=300&w=458 "4-(4'-Tolyl)-[2.2]paracyclophane")
| SpectraBase Compound ID | Jtv6vjiUHyi |
|---|---|
| InChI | InChI=1S/C23H22/c1-17-2-12-21(13-3-17)23-16-20-9-8-18-4-6-19(7-5-18)10-14-22(23)15-11-20/h2-7,11-13,15-16H,8-10,14H2,1H3 |
| InChIKey | KQCLIPDQNRFBFB-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C23H22 |
| Exact Mass | 298.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8Arm6JOpL9 |
|---|---|
| Name | 4-(4'-Tolyl)-[2.2]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.172150708 u |
| Formula | C23H22 |
| InChI | InChI=1S/C23H22/c1-17-2-12-21(13-3-17)23-16-20-9-8-18-4-6-19(7-5-18)10-14-22(23)15-11-20/h2-7,11-13,15-16H,8-10,14H2,1H3 |
| InChIKey | KQCLIPDQNRFBFB-UHFFFAOYSA-N |
| SMILES | C=1(C=2CCC=3C=CC(CCC(C1)=CC2)=CC3)C1=CC=C(C=C1)C |