| SpectraBase Compound ID | 79k8j9UxThu |
|---|---|
| InChI | InChI=1S/C12H17N3O/c1-2-12(16)15-9-7-14(8-10-15)11-5-3-4-6-13-11/h3-6H,2,7-10H2,1H3 |
| InChIKey | NQBGQNHTNDBNME-UHFFFAOYSA-N |
| Mol Weight | 219.29 g/mol |
| Molecular Formula | C12H17N3O |
| Exact Mass | 219.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Mflim0UyBA |
|---|---|
| Name | 1-(4-(Pyridin-2-yl)piperazin-1-yl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.137162178 u |
| Formula | C12H17N3O |
| InChI | InChI=1S/C12H17N3O/c1-2-12(16)15-9-7-14(8-10-15)11-5-3-4-6-13-11/h3-6H,2,7-10H2,1H3 |
| InChIKey | NQBGQNHTNDBNME-UHFFFAOYSA-N |
| Molecular Weight | 219.288 g/mol |
| SMILES | C1N(CCN(C1)C1=CC=CC=N1)C(CC)=O |