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2,3',4',5',6-Pentachloro-1,1'-biphenyl

View entire compound with spectra: 1 NMR, and 1 FTIR

2,3',4',5',6-Pentachloro-1,1'-biphenyl
SpectraBase Compound ID B5NP41wkcSP
InChI InChI=1S/C12H5Cl5/c13-7-2-1-3-8(14)11(7)6-4-9(15)12(17)10(16)5-6/h1-5H
InChIKey WAZUWHGJMMZVHH-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C12H5Cl5
Exact Mass 323.883389 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7nh1WJ0pqcG
Name 2,3',4',5',6-Pentachloro-1,1'-biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.883388661 u
Formula C12H5Cl5
InChI InChI=1S/C12H5Cl5/c13-7-2-1-3-8(14)11(7)6-4-9(15)12(17)10(16)5-6/h1-5H
InChIKey WAZUWHGJMMZVHH-UHFFFAOYSA-N
Molecular Weight 326.437 g/mol
SMILES C1(=C(C=CC=C1Cl)Cl)C1=CC(=C(C(=C1)Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931503