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2-(3',4',6'-Trichlorophenoxy)-3,4,5,6-tetrachlorophenol
SpectraBase Compound ID KoNJYoQUmWl
InChI InChI=1S/C12H3Cl7O2/c13-3-1-5(15)6(2-4(3)14)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2,20H
InChIKey BAKGKONMYBOYOB-UHFFFAOYSA-N
Mol Weight 427.3 g/mol
Molecular Formula C12H3Cl7O2
Exact Mass 423.795273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FwJP2YPOS
Name 2-(3',4',6'-Trichlorophenoxy)-3,4,5,6-tetrachlorophenol
Alternate Name(s) 2,3,4,5-tetrachloro-6-(2,4,5-trichlorophenoxy)phenol
Comments Removed - expert review - solvent impurities
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Formula C12H3Cl7O2
InChI InChI=1S/C12H3Cl7O2/c13-3-1-5(15)6(2-4(3)14)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2,20H
InChIKey BAKGKONMYBOYOB-UHFFFAOYSA-N
Molecular Weight 427.325 g/mol
SMILES Oc1c(c(c(Cl)c(c1Cl)Cl)Cl)Oc1cc(Cl)c(cc1Cl)Cl
SPLASH splash10-001i-0803900000-4431e1ac213225b11aa7
Source of Spectrum SO-0-923-3
Wiley ID 1538708