| SpectraBase Compound ID | AW9JwHEMViM |
|---|---|
| InChI | InChI=1S/C18H20BrFN2/c19-15-4-1-3-14(11-15)13-22-9-7-17(8-10-22)21-18-6-2-5-16(20)12-18/h1-6,11-12,17,21H,7-10,13H2 |
| InChIKey | VRTRPVABFQEJBR-UHFFFAOYSA-N |
| Mol Weight | 363.27 g/mol |
| Molecular Formula | C18H20BrFN2 |
| Exact Mass | 362.07939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96mCb8D69vQ |
|---|---|
| Name | 1-(3-Bromobenzyl)-N-(3-fluorophenyl)piperidin-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.079389815 u |
| Formula | C18H20BrFN2 |
| InChI | InChI=1S/C18H20BrFN2/c19-15-4-1-3-14(11-15)13-22-9-7-17(8-10-22)21-18-6-2-5-16(20)12-18/h1-6,11-12,17,21H,7-10,13H2 |
| InChIKey | VRTRPVABFQEJBR-UHFFFAOYSA-N |
| Molecular Weight | 363.274 g/mol |
| SMILES | C1(NC2CCN(CC=3C=C(C=CC3)Br)CC2)=CC(=CC=C1)F |