![1-Tert-butyl-4-[2-(4-tert-butylphenyl)ethynyl]benzene](/api/spectrum/7I8R42KB5gT/structure.png?h=300&w=458 "1-Tert-butyl-4-[2-(4-tert-butylphenyl)ethynyl]benzene")
| SpectraBase Compound ID | CZcPWzzPb6b |
|---|---|
| InChI | InChI=1S/C22H26/c1-21(2,3)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22(4,5)6/h9-16H,1-6H3 |
| InChIKey | OLMMGNRXOABKEG-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C22H26 |
| Exact Mass | 290.203451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7I8R42KB5gT |
|---|---|
| Name | 1-Tert-butyl-4-[2-(4-tert-butylphenyl)ethynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.203450837 u |
| Formula | C22H26 |
| InChI | InChI=1S/C22H26/c1-21(2,3)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22(4,5)6/h9-16H,1-6H3 |
| InChIKey | OLMMGNRXOABKEG-UHFFFAOYSA-N |
| SMILES | C(#CC=1C=CC(C(C)(C)C)=CC1)C1=CC=C(C(C)(C)C)C=C1 |