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

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2,2',3,4',5-Pentachloro-1,1'-biphenyl
SpectraBase Compound ID EF3m5Ym2Vf0
InChI InChI=1S/C12H5Cl5/c13-6-1-2-8(10(15)4-6)9-3-7(14)5-11(16)12(9)17/h1-5H
InChIKey SUOAMBOBSWRMNQ-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 JFQMtZNAw4I
Name 2,2',3,4',5-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/c13-6-1-2-8(10(15)4-6)9-3-7(14)5-11(16)12(9)17/h1-5H
InChIKey SUOAMBOBSWRMNQ-UHFFFAOYSA-N
Molecular Weight 326.437 g/mol
SMILES C1(=C(C=C(C=C1)Cl)Cl)C1=CC(=CC(=C1Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933783