| SpectraBase Compound ID | 6gK8uWzLlZZ |
|---|---|
| InChI | InChI=1S/C26H14/c1-3-12-23(13-4-1)16-7-9-18-25-20-11-21-26(22-25)19-10-8-17-24-14-5-2-6-15-24/h1-6,11-15,20-22H |
| InChIKey | JQOGGXWGXWMQMJ-UHFFFAOYSA-N |
| Mol Weight | 326.4 g/mol |
| Molecular Formula | C26H14 |
| Exact Mass | 326.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IKGeHUOLYxo |
|---|---|
| Name | Benzene, 1,3-bis(4-phenyl-1,3-butadiynyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.109550451 u |
| Formula | C26H14 |
| InChI | InChI=1S/C26H14/c1-3-12-23(13-4-1)16-7-9-18-25-20-11-21-26(22-25)19-10-8-17-24-14-5-2-6-15-24/h1-6,11-15,20-22H |
| InChIKey | JQOGGXWGXWMQMJ-UHFFFAOYSA-N |
| Molecular Weight | 326.398 g/mol |
| SMILES | C1(=CC=CC(=C1)C#CC#CC1=CC=CC=C1)C#CC#CC1=CC=CC=C1 |