![4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(4-ethoxyphenyl)-7-methyl-5-oxo-](/api/spectrum/Eudagg8LFl7/structure.png?h=300&w=458 "4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(4-ethoxyphenyl)-7-methyl-5-oxo-")
| SpectraBase Compound ID | 8blMawPNZjf |
|---|---|
| InChI | InChI=1S/C18H16N2O4/c1-3-22-12-6-4-11(5-7-12)15-13(9-19)17(20)24-14-8-10(2)23-18(21)16(14)15/h4-8,15H,3,20H2,1-2H3 |
| InChIKey | XJHRHFFURBXLQZ-UHFFFAOYSA-N |
| Mol Weight | 324.34 g/mol |
| Molecular Formula | C18H16N2O4 |
| Exact Mass | 324.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eudagg8LFl7 |
|---|---|
| Name | 4H,5H-Pyrano[4,3-B]pyran-3-carbonitrile, 2-amino-4-(4-ethoxyphenyl)-7-methyl-5-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.111006999 u |
| Formula | C18H16N2O4 |
| InChI | InChI=1S/C18H16N2O4/c1-3-22-12-6-4-11(5-7-12)15-13(9-19)17(20)24-14-8-10(2)23-18(21)16(14)15/h4-8,15H,3,20H2,1-2H3 |
| InChIKey | XJHRHFFURBXLQZ-UHFFFAOYSA-N |
| SMILES | NC1=C(C(C2=C(O1)C=C(OC2=O)C)C=1C=CC(=CC1)OCC)C#N |