| SpectraBase Compound ID | Dpsph1RQjVT |
|---|---|
| InChI | InChI=1S/C18H20ClFN2/c19-15-4-6-17(7-5-15)21-18-8-10-22(11-9-18)13-14-2-1-3-16(20)12-14/h1-7,12,18,21H,8-11,13H2 |
| InChIKey | JVCUDCFDGGNYDV-UHFFFAOYSA-N |
| Mol Weight | 318.82 g/mol |
| Molecular Formula | C18H20ClFN2 |
| Exact Mass | 318.129905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbZoVFSWGKF |
|---|---|
| Name | N-(4-Chlorophenyl)-1-(3-fluorobenzyl)piperidin-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.129904515 u |
| Formula | C18H20ClFN2 |
| InChI | InChI=1S/C18H20ClFN2/c19-15-4-6-17(7-5-15)21-18-8-10-22(11-9-18)13-14-2-1-3-16(20)12-14/h1-7,12,18,21H,8-11,13H2 |
| InChIKey | JVCUDCFDGGNYDV-UHFFFAOYSA-N |
| Molecular Weight | 318.823 g/mol |
| SMILES | C1(NC=2C=CC(=CC2)Cl)CCN(CC=2C=C(C=CC2)F)CC1 |