![1H-Isoindole-1,3(2H)-dione, 2-[1,1'-biphenyl]-4-yl-](/api/spectrum/7Qux4U5K2wN/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, 2-[1,1'-biphenyl]-4-yl-")
| SpectraBase Compound ID | GwqTXVCZSxl |
|---|---|
| InChI | InChI=1S/C20H13NO2/c22-19-17-8-4-5-9-18(17)20(23)21(19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H |
| InChIKey | NJTCXXFLSXRCRT-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C20H13NO2 |
| Exact Mass | 299.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Qux4U5K2wN |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-[1,1'-biphenyl]-4-yl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.094628661 u |
| Formula | C20H13NO2 |
| InChI | InChI=1S/C20H13NO2/c22-19-17-8-4-5-9-18(17)20(23)21(19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H |
| InChIKey | NJTCXXFLSXRCRT-UHFFFAOYSA-N |
| SMILES | C1(=O)N(C(=O)C2=C1C=CC=C2)C1=CC=C(C=C1)C1=CC=CC=C1 |