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

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2,2',3,5,6'-Pentachloro-1,1'-biphenyl
SpectraBase Compound ID DkfTwC9eLW1
InChI InChI=1S/C12H5Cl5/c13-6-4-7(12(17)10(16)5-6)11-8(14)2-1-3-9(11)15/h1-5H
InChIKey FJUVPPYNSDTRQV-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 89Yn1ixl453
Name 2,2',3,5,6'-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/c13-6-4-7(12(17)10(16)5-6)11-8(14)2-1-3-9(11)15/h1-5H
InChIKey FJUVPPYNSDTRQV-UHFFFAOYSA-N
Molecular Weight 326.437 g/mol
SMILES C1(=C(C=CC=C1Cl)Cl)C1=CC(=CC(=C1Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935221