| SpectraBase Compound ID | LjdkKeQCyR |
|---|---|
| InChI | InChI=1S/C20H20N2O2/c21-16-20(24-19(23)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-15H2 |
| InChIKey | FKAVNBVTESYVJJ-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C20H20N2O2 |
| Exact Mass | 320.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GThdffiKCW0 |
|---|---|
| Name | 1-Benzyl-4-cyanopiperidin-4-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.152477890 u |
| Formula | C20H20N2O2 |
| InChI | InChI=1S/C20H20N2O2/c21-16-20(24-19(23)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-15H2 |
| InChIKey | FKAVNBVTESYVJJ-UHFFFAOYSA-N |
| Molecular Weight | 320.392 g/mol |
| SMILES | C(OC1(C#N)CCN(CC1)CC=1C=CC=CC1)(=O)C=1C=CC=CC1 |