![1-Phenyl-4-[2-(4-phenylphenyl)ethynyl]benzene](/api/spectrum/6NVCL3RJ1Td/structure.png?h=300&w=458 "1-Phenyl-4-[2-(4-phenylphenyl)ethynyl]benzene")
| SpectraBase Compound ID | 3bufiPIzC9B |
|---|---|
| InChI | InChI=1S/C26H18/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-10,13-20H |
| InChIKey | NXWCDEUPFKTZSD-UHFFFAOYSA-N |
| Mol Weight | 330.43 g/mol |
| Molecular Formula | C26H18 |
| Exact Mass | 330.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NVCL3RJ1Td |
|---|---|
| Name | 1-Phenyl-4-[2-(4-phenylphenyl)ethynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.140850580 u |
| Formula | C26H18 |
| InChI | InChI=1S/C26H18/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-10,13-20H |
| InChIKey | NXWCDEUPFKTZSD-UHFFFAOYSA-N |
| Molecular Weight | 330.430 g/mol |
| SMILES | C(#CC1=CC=C(C=C1)C1=CC=CC=C1)C=1C=CC(=CC1)C=1C=CC=CC1 |