![3-methyl-N-{2-[4-(3-methylbutanoyl)-1-piperazinyl]ethyl}butanamide](/api/spectrum/4A14zWY1KaA/structure.png?h=300&w=458 "3-methyl-N-{2-[4-(3-methylbutanoyl)-1-piperazinyl]ethyl}butanamide")
| SpectraBase Compound ID | 8e716IxIecx |
|---|---|
| InChI | InChI=1S/C16H31N3O2/c1-13(2)11-15(20)17-5-6-18-7-9-19(10-8-18)16(21)12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,20) |
| InChIKey | WZKFYMLKTSQSIS-UHFFFAOYSA-N |
| Mol Weight | 297.44 g/mol |
| Molecular Formula | C16H31N3O2 |
| Exact Mass | 297.241627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4A14zWY1KaA |
|---|---|
| Name | 3-Methyl-N-{2-[4-(3-methylbutanoyl)-1-piperazinyl]ethyl}butanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.241627248 u |
| Formula | C16H31N3O2 |
| InChI | InChI=1S/C16H31N3O2/c1-13(2)11-15(20)17-5-6-18-7-9-19(10-8-18)16(21)12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,20) |
| InChIKey | WZKFYMLKTSQSIS-UHFFFAOYSA-N |
| SMILES | N(C(=O)CC(C)C)CCN1CCN(C(CC(C)C)=O)CC1 |