![3-[[2-[(2-Acetyl-3-keto-but-1-enyl)amino]ethylamino]methylene]pentane-2,4-dione](/api/spectrum/62oGvgcLPsl/structure.png?h=300&w=458 "3-[[2-[(2-Acetyl-3-keto-but-1-enyl)amino]ethylamino]methylene]pentane-2,4-dione")
| SpectraBase Compound ID | IVip5aMds3d |
|---|---|
| InChI | InChI=1S/C14H20N2O4/c1-9(17)13(10(2)18)7-15-5-6-16-8-14(11(3)19)12(4)20/h7-8,15-16H,5-6H2,1-4H3 |
| InChIKey | JZAQJQGGBQWHQX-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C14H20N2O4 |
| Exact Mass | 280.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62oGvgcLPsl |
|---|---|
| Name | 3-[[2-[(2-Acetyl-3-keto-but-1-enyl)amino]ethylamino]methylene]pentane-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.142307128 u |
| Formula | C14H20N2O4 |
| InChI | InChI=1S/C14H20N2O4/c1-9(17)13(10(2)18)7-15-5-6-16-8-14(11(3)19)12(4)20/h7-8,15-16H,5-6H2,1-4H3 |
| InChIKey | JZAQJQGGBQWHQX-UHFFFAOYSA-N |
| SMILES | C(C(=O)C)(C(=O)C)=CNCCNC=C(C(=O)C)C(=O)C |