![4-[(2-Oxoazepan-3-yl)amino]pent-3-en-2-one](/api/spectrum/Aei5ZulWhk0/structure.png?h=300&w=458 "4-[(2-Oxoazepan-3-yl)amino]pent-3-en-2-one")
| SpectraBase Compound ID | 36HGxpOGj0B |
|---|---|
| InChI | InChI=1S/C11H18N2O2/c1-8(7-9(2)14)13-10-5-3-4-6-12-11(10)15/h7,10,13H,3-6H2,1-2H3,(H,12,15)/b8-7- |
| InChIKey | HGGYKUUMENXKHT-FPLPWBNLSA-N |
| Mol Weight | 210.28 g/mol |
| Molecular Formula | C11H18N2O2 |
| Exact Mass | 210.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aei5ZulWhk0 |
|---|---|
| Name | 4-[(2-Oxoazepan-3-yl)amino]pent-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.136827826 u |
| Formula | C11H18N2O2 |
| InChI | InChI=1S/C11H18N2O2/c1-8(7-9(2)14)13-10-5-3-4-6-12-11(10)15/h7,10,13H,3-6H2,1-2H3,(H,12,15)/b8-7- |
| InChIKey | HGGYKUUMENXKHT-FPLPWBNLSA-N |
| Molecular Weight | 210.277 g/mol |
| SMILES | CC(\C=C\(C)NC1C(=O)NCCCC1)=O |