![[6.6]Metacyclophane](/api/spectrum/EXsB5H0CnP2/structure.png?h=300&w=458 "[6.6]Metacyclophane")
| SpectraBase Compound ID | JQqwNWvGo6k |
|---|---|
| InChI | InChI=1S/C24H32/c1-2-6-12-22-16-10-18-24(20-22)14-8-4-3-7-13-23-17-9-15-21(19-23)11-5-1/h9-10,15-20H,1-8,11-14H2 |
| InChIKey | PDCJQMZQIMZCAD-UHFFFAOYSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C24H32 |
| Exact Mass | 320.250401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXsB5H0CnP2 |
|---|---|
| Name | [6.6]Metacyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.250401030 u |
| Formula | C24H32 |
| InChI | InChI=1S/C24H32/c1-2-6-12-22-16-10-18-24(20-22)14-8-4-3-7-13-23-17-9-15-21(19-23)11-5-1/h9-10,15-20H,1-8,11-14H2 |
| InChIKey | PDCJQMZQIMZCAD-UHFFFAOYSA-N |
| Molecular Weight | 320.520 g/mol |
| SMILES | C=1C2=CC=CC1CCCCCCC1=CC(CCCCCC2)=CC=C1 |