| SpectraBase Compound ID | 64ifdZLTBo1 |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-2-5-9-6-3-8(10)4-7-9/h1H,3-7H2 |
| InChIKey | QFDTVCZEYDRQIQ-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34EWj38dTo0 |
|---|---|
| Name | 1-(Prop-2-yn-1-yl)piperidin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c1-2-5-9-6-3-8(10)4-7-9/h1H,3-7H2 |
| InChIKey | QFDTVCZEYDRQIQ-UHFFFAOYSA-N |
| SMILES | C1(=O)CCN(CC#C)CC1 |