![1H-benz[de]isoquinoline-1,3(2H)-dione, 2-(2-ethylphenyl)-](/api/spectrum/CEx1v2kMTB3/structure.png?h=300&w=458 "1H-benz[de]isoquinoline-1,3(2H)-dione, 2-(2-ethylphenyl)-")
| SpectraBase Compound ID | giYpUldpJ |
|---|---|
| InChI | InChI=1S/C20H15NO2/c1-2-13-7-3-4-12-17(13)21-19(22)15-10-5-8-14-9-6-11-16(18(14)15)20(21)23/h3-12H,2H2,1H3 |
| InChIKey | UELSKRLKMYCLKT-UHFFFAOYSA-N |
| Mol Weight | 301.35 g/mol |
| Molecular Formula | C20H15NO2 |
| Exact Mass | 301.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEx1v2kMTB3 |
|---|---|
| Name | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(2-ethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.110278725 u |
| Formula | C20H15NO2 |
| InChI | InChI=1S/C20H15NO2/c1-2-13-7-3-4-12-17(13)21-19(22)15-10-5-8-14-9-6-11-16(18(14)15)20(21)23/h3-12H,2H2,1H3 |
| InChIKey | UELSKRLKMYCLKT-UHFFFAOYSA-N |
| SMILES | C=1C=CC(N2C(C=3C=CC=C4C3C(C2=O)=CC=C4)=O)=C(CC)C1 |