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N,N-Bis(3-fluorobenzyl)-3-bromobenzeneethanamine

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

N,N-Bis(3-fluorobenzyl)-3-bromobenzeneethanamine
SpectraBase Compound ID EeV0lOcIIIs
InChI InChI=1S/C22H20BrF2N/c23-20-7-1-4-17(12-20)10-11-26(15-18-5-2-8-21(24)13-18)16-19-6-3-9-22(25)14-19/h1-9,12-14H,10-11,15-16H2
InChIKey LPXBJZQPFQHEKS-UHFFFAOYSA-N
Mol Weight 416.31 g/mol
Molecular Formula C22H20BrF2N
Exact Mass 415.074719 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JKbHixXjrwd
Name N,N-bis(3-Fluorobenzyl)-3-bromobenzeneethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.074718974 u
Formula C22H20BrF2N
InChI InChI=1S/C22H20BrF2N/c23-20-7-1-4-17(12-20)10-11-26(15-18-5-2-8-21(24)13-18)16-19-6-3-9-22(25)14-19/h1-9,12-14H,10-11,15-16H2
InChIKey LPXBJZQPFQHEKS-UHFFFAOYSA-N
Molecular Weight 416.310 g/mol
SMILES C(N(CC1=CC(=CC=C1)F)CCC=1C=C(C=CC1)Br)C1=CC(=CC=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811438