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4-Fluorophenethylamine N,N-bis(4-bromobenzyl)

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

4-Fluorophenethylamine N,N-bis(4-bromobenzyl)
SpectraBase Compound ID Djwo4ASJVe5
InChI InChI=1S/C22H20Br2FN/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 MRFMHTRHXUNVEG-UHFFFAOYSA-N
Mol Weight 477.22 g/mol
Molecular Formula C22H20Br2FN
Exact Mass 474.994654 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2HBUY6a2IaA
Name 4-Fluorophenethylamine N,N-bis(4-bromobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.994653811 u
Formula C22H20Br2FN
InChI InChI=1S/C22H20Br2FN/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 MRFMHTRHXUNVEG-UHFFFAOYSA-N
Molecular Weight 477.215 g/mol
SMILES C(N(CCC1=CC=C(C=C1)F)CC=1C=CC(=CC1)Br)C=1C=CC(=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87975