| SpectraBase Compound ID | 1o4IC7OhVCF |
|---|---|
| InChI | InChI=1S/C22H22/c1-17(2)21-13-9-19(10-14-21)7-5-6-8-20-11-15-22(16-12-20)18(3)4/h9-18H,1-4H3 |
| InChIKey | MUGZTQIJYXSPIJ-UHFFFAOYSA-N |
| Mol Weight | 286.42 g/mol |
| Molecular Formula | C22H22 |
| Exact Mass | 286.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AfXCm2kIZ1n |
|---|---|
| Name | bis(p-Cumenyl)butadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.172150708 u |
| Formula | C22H22 |
| InChI | InChI=1S/C22H22/c1-17(2)21-13-9-19(10-14-21)7-5-6-8-20-11-15-22(16-12-20)18(3)4/h9-18H,1-4H3 |
| InChIKey | MUGZTQIJYXSPIJ-UHFFFAOYSA-N |
| Molecular Weight | 286.418 g/mol |
| SMILES | C=1C(=CC=C(C1)C(C)C)C#CC#CC=1C=CC(=CC1)C(C)C |