| SpectraBase Compound ID | BkrADqN0TSK |
|---|---|
| InChI | InChI=1S/C22H20Cl2FN/c23-20-7-1-18(2-8-20)15-26(16-19-3-9-21(24)10-4-19)14-13-17-5-11-22(25)12-6-17/h1-12H,13-16H2 |
| InChIKey | VSLRISNFJFWZHX-UHFFFAOYSA-N |
| Mol Weight | 388.31 g/mol |
| Molecular Formula | C22H20Cl2FN |
| Exact Mass | 387.095683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZSWt0f9BNq |
|---|---|
| Name | N.N-bis(4-Chlorobenzyl)-4-fluorophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.095683211 u |
| Formula | C22H20Cl2FN |
| InChI | InChI=1S/C22H20Cl2FN/c23-20-7-1-18(2-8-20)15-26(16-19-3-9-21(24)10-4-19)14-13-17-5-11-22(25)12-6-17/h1-12H,13-16H2 |
| InChIKey | VSLRISNFJFWZHX-UHFFFAOYSA-N |
| Molecular Weight | 388.313 g/mol |
| SMILES | C(N(CCC1=CC=C(C=C1)F)CC=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl |