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Tris(4-chlorobenzyl)amine

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

Tris(4-chlorobenzyl)amine
SpectraBase Compound ID C3fcsB99lNS
InChI InChI=1S/C21H18Cl3N/c22-19-7-1-16(2-8-19)13-25(14-17-3-9-20(23)10-4-17)15-18-5-11-21(24)12-6-18/h1-12H,13-15H2
InChIKey XEQVIBQVXBZKJM-UHFFFAOYSA-N
Mol Weight 390.74 g/mol
Molecular Formula C21H18Cl3N
Exact Mass 389.050483 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BkRtF1me3fm
Name Tris(4-chlorobenzyl)amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.050482684 u
Formula C21H18Cl3N
InChI InChI=1S/C21H18Cl3N/c22-19-7-1-16(2-8-19)13-25(14-17-3-9-20(23)10-4-17)15-18-5-11-21(24)12-6-18/h1-12H,13-15H2
InChIKey XEQVIBQVXBZKJM-UHFFFAOYSA-N
Molecular Weight 390.741 g/mol
SMILES C(N(CC=1C=CC(=CC1)Cl)CC1=CC=C(C=C1)Cl)C=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861375