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N,N-Bis(3-trifluoromethylbenzyl)-2-fluorobenzylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N,N-Bis(3-trifluoromethylbenzyl)-2-fluorobenzylamine
SpectraBase Compound ID 5NyTKH7Tz29
InChI InChI=1S/C23H18F7N/c24-21-10-2-1-7-18(21)15-31(13-16-5-3-8-19(11-16)22(25,26)27)14-17-6-4-9-20(12-17)23(28,29)30/h1-12H,13-15H2
InChIKey PEORXCHFHUBEGW-UHFFFAOYSA-N
Mol Weight 441.39 g/mol
Molecular Formula C23H18F7N
Exact Mass 441.132747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPJDOzkUYAP
Name N,N-bis(3-Trifluoromethylbenzyl)-2-fluorobenzylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.132746725 u
Formula C23H18F7N
InChI InChI=1S/C23H18F7N/c24-21-10-2-1-7-18(21)15-31(13-16-5-3-8-19(11-16)22(25,26)27)14-17-6-4-9-20(12-17)23(28,29)30/h1-12H,13-15H2
InChIKey PEORXCHFHUBEGW-UHFFFAOYSA-N
Molecular Weight 441.393 g/mol
SMILES C(C=1C=C(CN(CC=2C(=CC=CC2)F)CC=2C=C(C(F)(F)F)C=CC2)C=CC1)(F)(F)F