| SpectraBase Compound ID | IBMiJp2DQie |
|---|---|
| InChI | InChI=1S/C7H11NO2/c1-3-4-8-7(10)5-6(2)9/h3H,1,4-5H2,2H3,(H,8,10) |
| InChIKey | GSZJKHTZJCSFBQ-UHFFFAOYSA-N |
| Mol Weight | 141.17 g/mol |
| Molecular Formula | C7H11NO2 |
| Exact Mass | 141.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Fo8eaKekWF |
|---|---|
| Name | 1-(Allylamino)butane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.078978596 u |
| Formula | C7H11NO2 |
| InChI | InChI=1S/C7H11NO2/c1-3-4-8-7(10)5-6(2)9/h3H,1,4-5H2,2H3,(H,8,10) |
| InChIKey | GSZJKHTZJCSFBQ-UHFFFAOYSA-N |
| SMILES | CC(=O)CC(=O)NCC=C |