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4-(2',4',5',6'-Tetrachlorophenoxy)phenol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-(2',4',5',6'-Tetrachlorophenoxy)phenol
SpectraBase Compound ID 7sfYdrVpyxf
InChI InChI=1S/C12H6Cl4O2/c13-8-5-9(14)12(11(16)10(8)15)18-7-3-1-6(17)2-4-7/h1-5,17H
InChIKey HQXYNNPETVNXCP-UHFFFAOYSA-N
Mol Weight 324.0 g/mol
Molecular Formula C12H6Cl4O2
Exact Mass 321.91219 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 17HLRarhxyb
Name 4-(2',4',5',6'-Tetrachlorophenoxy)phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.912190231 u
Formula C12H6Cl4O2
InChI InChI=1S/C12H6Cl4O2/c13-8-5-9(14)12(11(16)10(8)15)18-7-3-1-6(17)2-4-7/h1-5,17H
InChIKey HQXYNNPETVNXCP-UHFFFAOYSA-N
Molecular Weight 323.990 g/mol
SMILES C1(=C(C(Cl)=C(C=C1Cl)Cl)Cl)OC1=CC=C(C=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846164