![3-[(E)-2-(4-nitrophenyl)ethenyl]-1-benzopyran-4-one](/api/spectrum/LlPKGolUjQk/structure.png?h=300&w=458 "3-[(E)-2-(4-nitrophenyl)ethenyl]-1-benzopyran-4-one")
| SpectraBase Compound ID | 4u9lYMbwNLy |
|---|---|
| InChI | InChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H/b8-5+ |
| InChIKey | SOSALDPSJPEFEK-VMPITWQZSA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C17H11NO4 |
| Exact Mass | 293.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlPKGolUjQk |
|---|---|
| Name | 3-[(E)-2-(4-Nitrophenyl)ethenyl]-1-benzopyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.068807834 u |
| Formula | C17H11NO4 |
| InChI | InChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H/b8-5+ |
| InChIKey | SOSALDPSJPEFEK-VMPITWQZSA-N |
| SMILES | C1(N(=O)=O)=CC=C(\C=C\C=2C(C=3C=CC=CC3OC2)=O)C=C1 |