![1,3-Butanedione, 1-[4-(2-methyl-1-oxo-2-propen-1-yl)-1-piperazinyl]-](/api/spectrum/A1MCN3z1wDG/structure.png?h=300&w=458 "1,3-Butanedione, 1-[4-(2-methyl-1-oxo-2-propen-1-yl)-1-piperazinyl]-")
| SpectraBase Compound ID | GZS7n6ZzIdf |
|---|---|
| InChI | InChI=1S/C12H18N2O3/c1-9(2)12(17)14-6-4-13(5-7-14)11(16)8-10(3)15/h1,4-8H2,2-3H3 |
| InChIKey | CKFQIYSINORIFY-UHFFFAOYSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C12H18N2O3 |
| Exact Mass | 238.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1MCN3z1wDG |
|---|---|
| Name | 1,3-Butanedione, 1-[4-(2-methyl-1-oxo-2-propen-1-yl)-1-piperazinyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.131742445 u |
| Formula | C12H18N2O3 |
| InChI | InChI=1S/C12H18N2O3/c1-9(2)12(17)14-6-4-13(5-7-14)11(16)8-10(3)15/h1,4-8H2,2-3H3 |
| InChIKey | CKFQIYSINORIFY-UHFFFAOYSA-N |
| Molecular Weight | 238.287 g/mol |
| SMILES | CC(=O)CC(=O)N1CCN(CC1)C(=O)C(C)=C |