![4-pyridinecarboxamide, N-[2-[[3-[4-methyl-7-[(2-methyl-2-propenyl)oxy]-2-oxo-2H-1-benzopyran-3-yl]-1-oxopropyl]amino]ethyl]-](/api/spectrum/47GiegK4PdP/structure.png?h=300&w=458 "4-pyridinecarboxamide, N-[2-[[3-[4-methyl-7-[(2-methyl-2-propenyl)oxy]-2-oxo-2H-1-benzopyran-3-yl]-1-oxopropyl]amino]ethyl]-")
| SpectraBase Compound ID | JSYPHzpqnLG |
|---|---|
| InChI | InChI=1S/C25H27N3O5/c1-16(2)15-32-19-4-5-20-17(3)21(25(31)33-22(20)14-19)6-7-23(29)27-12-13-28-24(30)18-8-10-26-11-9-18/h4-5,8-11,14H,1,6-7,12-13,15H2,2-3H3,(H,27,29)(H,28,30) |
| InChIKey | XPTVVJLUWHIMMW-UHFFFAOYSA-N |
| Mol Weight | 449.51 g/mol |
| Molecular Formula | C25H27N3O5 |
| Exact Mass | 449.195071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47GiegK4PdP |
|---|---|
| Name | 4-Pyridinecarboxamide, N-[2-[[3-[4-methyl-7-[(2-methyl-2-propenyl)oxy]-2-oxo-2H-1-benzopyran-3-yl]-1-oxopropyl]amino]ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.195070976 u |
| Formula | C25H27N3O5 |
| InChI | InChI=1S/C25H27N3O5/c1-16(2)15-32-19-4-5-20-17(3)21(25(31)33-22(20)14-19)6-7-23(29)27-12-13-28-24(30)18-8-10-26-11-9-18/h4-5,8-11,14H,1,6-7,12-13,15H2,2-3H3,(H,27,29)(H,28,30) |
| InChIKey | XPTVVJLUWHIMMW-UHFFFAOYSA-N |
| Molecular Weight | 449.507 g/mol |
| SMILES | N(C(CCC=1C(OC=2C(C1C)=CC=C(OCC(=C)C)C2)=O)=O)CCNC(=O)C=1C=CN=CC1 |