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

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

2,3,3',4,4',5,5',6-Octachloro-1,1'-biphenyl
SpectraBase Compound ID 33g4QCu6hUd
InChI InChI=1S/C12H2Cl8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
InChIKey VXXBCDUYUQKWCK-UHFFFAOYSA-N
Mol Weight 429.8 g/mol
Molecular Formula C12H2Cl8
Exact Mass 425.766472 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J9s1ZoaV89u
Name 2,3,3',4,4',5,5',6-Octachloro-1,1'-biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.766471664 u
Formula C12H2Cl8
InChI InChI=1S/C12H2Cl8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
InChIKey VXXBCDUYUQKWCK-UHFFFAOYSA-N
Molecular Weight 429.772 g/mol
SMILES C1(=C(C(=C(C(=C1C1=CC(=C(C(=C1)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944592