(1,4)-cyclophane](/api/spectrum/L5aiFA9W9GJ/structure.png?h=300&w=458 "12,13,14,15-Tetramethyl[2.2](1,3)(1,4)-cyclophane")
| SpectraBase Compound ID | 4Da39JxCdXL |
|---|---|
| InChI | InChI=1S/C20H24/c1-13-14(2)20-11-9-18-7-5-6-17(12-18)8-10-19(13)15(3)16(20)4/h5-7,12H,8-11H2,1-4H3 |
| InChIKey | DBNRIAILQJCWIJ-UHFFFAOYSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C20H24 |
| Exact Mass | 264.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5aiFA9W9GJ |
|---|---|
| Name | 12,13,14,15-Tetramethyl[2.2](1,3)(1,4)-cyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.187800773 u |
| Formula | C20H24 |
| InChI | InChI=1S/C20H24/c1-13-14(2)20-11-9-18-7-5-6-17(12-18)8-10-19(13)15(3)16(20)4/h5-7,12H,8-11H2,1-4H3 |
| InChIKey | DBNRIAILQJCWIJ-UHFFFAOYSA-N |
| Molecular Weight | 264.412 g/mol |
| SMILES | C12=C(C(C)=C(C(=C2C)C)CCC2=CC(CC1)=CC=C2)C |