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1,2,4-Tris(4-chlorophenyl)anthraquinone
SpectraBase Compound ID G2icksyr50a
InChI InChI=1S/C32H17Cl3O2/c33-21-11-5-18(6-12-21)26-17-27(19-7-13-22(34)14-8-19)29-30(28(26)20-9-15-23(35)16-10-20)32(37)25-4-2-1-3-24(25)31(29)36/h1-17H
InChIKey MHWSZLUJHGVACS-UHFFFAOYSA-N
Mol Weight 539.8 g/mol
Molecular Formula C32H17Cl3O2
Exact Mass 538.029413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jJnqizqIrH
Name 1,2,4-Tris(4-chlorophenyl)anthraquinone
Alternate Name(s) 1,2,4-tris(4-chlorophenyl)anthracene-9,10-dione
Comments Less than 3 mono-isotopic peaks
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Formula C32H17Cl3O2
InChI InChI=1S/C32H17Cl3O2/c33-21-11-5-18(6-12-21)26-17-27(19-7-13-22(34)14-8-19)29-30(28(26)20-9-15-23(35)16-10-20)32(37)25-4-2-1-3-24(25)31(29)36/h1-17H
InChIKey MHWSZLUJHGVACS-UHFFFAOYSA-N
Molecular Weight 539.845 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(-c2ccc(cc2)Cl)cc(c1-c1ccc(cc1)Cl)-c1ccc(cc1)Cl
SPLASH splash10-000l-0000090000-abb22bb54fe92f5d22c9
Source of Spectrum U1-2011-2084-9d
Wiley ID 1665528