| SpectraBase Compound ID | DXTdz7KquU4 |
|---|---|
| InChI | InChI=1S/C26H20/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)26-22-19-23(26)21-24(26)20(22)25(19,21)17-9-5-2-6-10-17/h1-14,19-24H |
| InChIKey | DFIXKFHVDXYGAD-UHFFFAOYSA-N |
| Mol Weight | 332.45 g/mol |
| Molecular Formula | C26H20 |
| Exact Mass | 332.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5f52J6jtUfO |
|---|---|
| Name | 1-Phenyl-4-(p-biphenyl)cubane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.156500644 u |
| Formula | C26H20 |
| InChI | InChI=1S/C26H20/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)26-22-19-23(26)21-24(26)20(22)25(19,21)17-9-5-2-6-10-17/h1-14,19-24H |
| InChIKey | DFIXKFHVDXYGAD-UHFFFAOYSA-N |
| Molecular Weight | 332.446 g/mol |
| SMILES | C12(C3C4C2C2C4(C4=CC=CC=C4)C3C12)C=1C=CC(=CC1)C=1C=CC=CC1 |