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1,3,5-Trichloro-2-(2,4,6-trichlorobenzyl)benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1,3,5-Trichloro-2-(2,4,6-trichlorobenzyl)benzene
SpectraBase Compound ID IAUJ2PvrXnP
InChI InChI=1S/C13H6Cl6/c14-6-1-10(16)8(11(17)2-6)5-9-12(18)3-7(15)4-13(9)19/h1-4H,5H2
InChIKey CLNHAXDMYLEYKL-UHFFFAOYSA-N
Mol Weight 374.9 g/mol
Molecular Formula C13H6Cl6
Exact Mass 371.860066 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HFiwzXb1Js5
Name 1,3,5-Trichloro-2-(2,4,6-trichlorobenzyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.860066393 u
Formula C13H6Cl6
InChI InChI=1S/C13H6Cl6/c14-6-1-10(16)8(11(17)2-6)5-9-12(18)3-7(15)4-13(9)19/h1-4H,5H2
InChIKey CLNHAXDMYLEYKL-UHFFFAOYSA-N
Molecular Weight 374.909 g/mol
SMILES c1(c(cc(cc1Cl)Cl)Cl)Cc1c(cc(cc1Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956743