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

View entire compound with spectra: 1 FTIR

2,3,3',4',5,5'-Hexachloro-1,1'-biphenyl
SpectraBase Compound ID DNoQZZtv2UE
InChI InChI=1S/C12H4Cl6/c13-6-3-7(11(17)10(16)4-6)5-1-8(14)12(18)9(15)2-5/h1-4H
InChIKey AHZUOPSGLWYCNF-UHFFFAOYSA-N
Mol Weight 360.9 g/mol
Molecular Formula C12H4Cl6
Exact Mass 357.844416 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DvIGlg6wC97
Name 2,3,3',4',5,5'-Hexachloro-1,1'-biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.844416329 u
Formula C12H4Cl6
InChI InChI=1S/C12H4Cl6/c13-6-3-7(11(17)10(16)4-6)5-1-8(14)12(18)9(15)2-5/h1-4H
InChIKey AHZUOPSGLWYCNF-UHFFFAOYSA-N
Molecular Weight 360.882 g/mol
SMILES C1(=CC(=CC(=C1Cl)Cl)Cl)C1=CC(=C(C(=C1)Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960487