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5-Hydroxy-2,2',4,6'-tetrachlorobiphenyl, acetate

View entire compound with spectra: 1 FTIR

5-Hydroxy-2,2',4,6'-tetrachlorobiphenyl, acetate
SpectraBase Compound ID vnWhkfV0yQ
InChI InChI=1S/C14H8Cl4O2/c1-7(19)20-13-5-8(11(17)6-12(13)18)14-9(15)3-2-4-10(14)16/h2-6H,1H3
InChIKey WQEZFXMPYVPDDJ-UHFFFAOYSA-N
Mol Weight 350.0 g/mol
Molecular Formula C14H8Cl4O2
Exact Mass 347.92784 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Km2tUZgn1Tb
Name 5-Hydroxy-2,2',4,6'-tetrachlorobiphenyl, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.927840296 u
Formula C14H8Cl4O2
InChI InChI=1S/C14H8Cl4O2/c1-7(19)20-13-5-8(11(17)6-12(13)18)14-9(15)3-2-4-10(14)16/h2-6H,1H3
InChIKey WQEZFXMPYVPDDJ-UHFFFAOYSA-N
Molecular Weight 350.028 g/mol
SMILES C1(C2=C(C=CC=C2Cl)Cl)=C(C=C(C(=C1)OC(C)=O)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894252