| SpectraBase Compound ID | KkAY2reGy9f |
|---|---|
| InChI | InChI=1S/C20H21NO/c1-16(22)19-12-13-20(18-10-6-3-7-11-18)21(15-19)14-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3 |
| InChIKey | HUZAQLCAMIVZMB-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C20H21NO |
| Exact Mass | 291.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dskn9xNs7Z |
|---|---|
| Name | 1-(1-Benzyl-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)ethan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.162314299 u |
| Formula | C20H21NO |
| InChI | InChI=1S/C20H21NO/c1-16(22)19-12-13-20(18-10-6-3-7-11-18)21(15-19)14-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3 |
| InChIKey | HUZAQLCAMIVZMB-UHFFFAOYSA-N |
| SMILES | C(C)(=O)C=1CN(CC2=CC=CC=C2)C(CC1)C1=CC=CC=C1 |