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5-Hydroxy-2,2',3,4,4',5',6-heptachlorobiphenyl

View entire compound with spectra: 1 FTIR

5-Hydroxy-2,2',3,4,4',5',6-heptachlorobiphenyl
SpectraBase Compound ID 4iJYHiJ2Lpp
InChI InChI=1S/C12H3Cl7O/c13-4-2-6(15)5(14)1-3(4)7-8(16)10(18)11(19)12(20)9(7)17/h1-2,20H
InChIKey ACIHFCQYNYYGIZ-UHFFFAOYSA-N
Mol Weight 411.3 g/mol
Molecular Formula C12H3Cl7O
Exact Mass 407.800359 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CaqMknU4h0n
Name 5-Hydroxy-2,2',3,4,4',5',6-heptachlorobiphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.800358616 u
Formula C12H3Cl7O
InChI InChI=1S/C12H3Cl7O/c13-4-2-6(15)5(14)1-3(4)7-8(16)10(18)11(19)12(20)9(7)17/h1-2,20H
InChIKey ACIHFCQYNYYGIZ-UHFFFAOYSA-N
Molecular Weight 411.326 g/mol
SMILES C1(C2=C(C=C(C(=C2)Cl)Cl)Cl)=C(C(=C(C(=C1Cl)O)Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946385