| SpectraBase Compound ID | BBM74fUqymY |
|---|---|
| InChI | InChI=1S/C22H20F3N/c23-20-10-4-1-7-17(20)13-14-26(15-18-8-2-5-11-21(18)24)16-19-9-3-6-12-22(19)25/h1-12H,13-16H2 |
| InChIKey | XNLSFXMKCXAOPL-UHFFFAOYSA-N |
| Mol Weight | 355.4 g/mol |
| Molecular Formula | C22H20F3N |
| Exact Mass | 355.154784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EATFSM0AT6G |
|---|---|
| Name | N,N-bis(2-Fluorobenzyl)-2-fluorobenzeneethanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.154784137 u |
| Formula | C22H20F3N |
| InChI | InChI=1S/C22H20F3N/c23-20-10-4-1-7-17(20)13-14-26(15-18-8-2-5-11-21(18)24)16-19-9-3-6-12-22(19)25/h1-12H,13-16H2 |
| InChIKey | XNLSFXMKCXAOPL-UHFFFAOYSA-N |
| Molecular Weight | 355.404 g/mol |
| SMILES | C(N(CC1=C(C=CC=C1)F)CCC=1C(=CC=CC1)F)C=1C(=CC=CC1)F |