![2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-[2-(4-nitrophenyl)ethenyl]-, (E)-](/api/spectrum/2r0KxxkHf3E/structure.png?h=300&w=458 "2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-[2-(4-nitrophenyl)ethenyl]-, (E)-")
| SpectraBase Compound ID | 9OUeYhNT5oM |
|---|---|
| InChI | InChI=1S/C15H11NO6/c1-9(17)14-13(18)8-12(22-15(14)19)7-4-10-2-5-11(6-3-10)16(20)21/h2-8,18H,1H3/b7-4+ |
| InChIKey | VSCIWYVYCXAHGA-QPJJXVBHSA-N |
| Mol Weight | 301.25 g/mol |
| Molecular Formula | C15H11NO6 |
| Exact Mass | 301.058637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2r0KxxkHf3E |
|---|---|
| Name | 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-[2-(4-nitrophenyl)ethenyl]-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.058637072 u |
| Formula | C15H11NO6 |
| InChI | InChI=1S/C15H11NO6/c1-9(17)14-13(18)8-12(22-15(14)19)7-4-10-2-5-11(6-3-10)16(20)21/h2-8,18H,1H3/b7-4+ |
| InChIKey | VSCIWYVYCXAHGA-QPJJXVBHSA-N |
| SMILES | C=1(C(OC(=CC1O)\C=C\C=1C=CC(N(=O)=O)=CC1)=O)C(=O)C |