| SpectraBase Compound ID | KxFQbbOSC3O |
|---|---|
| InChI | InChI=1S/C16H21NO/c1-2-3-9-15-13-17(11-10-16(15)18)12-14-7-5-4-6-8-14/h2,4-8,15H,1,3,9-13H2 |
| InChIKey | FTLNCUCGKQSUTG-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C16H21NO |
| Exact Mass | 243.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlOoOWnQLel |
|---|---|
| Name | 1-Benzyl-3-but-3-enylpiperidin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.162314299 u |
| Formula | C16H21NO |
| InChI | InChI=1S/C16H21NO/c1-2-3-9-15-13-17(11-10-16(15)18)12-14-7-5-4-6-8-14/h2,4-8,15H,1,3,9-13H2 |
| InChIKey | FTLNCUCGKQSUTG-UHFFFAOYSA-N |
| Molecular Weight | 243.350 g/mol |
| SMILES | C1N(CC(C(C1)=O)CCC=C)CC=1C=CC=CC1 |