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1,1'-Biphenyl, 2,2',4,5',6-pentachloro-

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

1,1'-Biphenyl, 2,2',4,5',6-pentachloro-
SpectraBase Compound ID IVf4JN87IEm
InChI InChI=1S/C12H5Cl5/c13-6-1-2-9(15)8(3-6)12-10(16)4-7(14)5-11(12)17/h1-5H
InChIKey PQHZWWBJPCNNGI-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 561Rixe9UHF
Name 1,1'-Biphenyl, 2,2',4,5',6-pentachloro-
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/c13-6-1-2-9(15)8(3-6)12-10(16)4-7(14)5-11(12)17/h1-5H
InChIKey PQHZWWBJPCNNGI-UHFFFAOYSA-N
Molecular Weight 326.437 g/mol
SMILES C1=C(C=C(C(=C1Cl)C=1C=C(C=CC1Cl)Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910733