| SpectraBase Compound ID | GpXMLnL2KCn |
|---|---|
| InChI | InChI=1S/C20H21NO2/c22-19(18-9-5-2-6-10-18)20(23)21-13-11-17(12-14-21)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2 |
| InChIKey | ZQQONOBCXABRNJ-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C20H21NO2 |
| Exact Mass | 307.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NUqLRgdkgv |
|---|---|
| Name | 1-(4-Benzylpiperidin-1-yl)-2-phenylethane-1,2-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.157228918 u |
| Formula | C20H21NO2 |
| InChI | InChI=1S/C20H21NO2/c22-19(18-9-5-2-6-10-18)20(23)21-13-11-17(12-14-21)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2 |
| InChIKey | ZQQONOBCXABRNJ-UHFFFAOYSA-N |
| Molecular Weight | 307.393 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)(=O)N1CCC(CC1)CC1=CC=CC=C1 |