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3-Methylsulfonyl-3',4',5'-trichlorobiphenyl
SpectraBase Compound ID 29cIM7XH61Q
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)10-4-2-3-8(5-10)9-6-11(14)13(16)12(15)7-9/h2-7H,1H3
InChIKey ILMSLNYWOQVKBM-UHFFFAOYSA-N
Mol Weight 335.63 g/mol
Molecular Formula C13H9Cl3O2S
Exact Mass 333.938884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kav5cXTihof
Name 3-Methylsulfonyl-3',4',5'-trichlorobiphenyl
Alternate Name(s) 3,4,5-trichloro-3'-(methylsulfonyl)-1,1'-biphenyl Methyl 3',4',5'-trichloro[1,1'-biphenyl]-3-yl sulfone
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Formula C13H9Cl3O2S
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)10-4-2-3-8(5-10)9-6-11(14)13(16)12(15)7-9/h2-7H,1H3
InChIKey ILMSLNYWOQVKBM-UHFFFAOYSA-N
Molecular Weight 335.632 g/mol
SMILES c1(S(=O)(=O)C)cc(-c2cc(Cl)c(c(c2)Cl)Cl)ccc1
SPLASH splash10-00du-0094000000-eb4f107be761c2246a1d
Source of Spectrum KO-7-24-2
Wiley ID 1330572