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2-Methylsulfonyl-4',5',6'-trichlorobiphenyl
SpectraBase Compound ID 4CZi1qDItUV
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)11-5-3-2-4-8(11)9-6-7-10(14)13(16)12(9)15/h2-7H,1H3
InChIKey VTSMIUIIBUWXRR-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 2l6UarfsQnO
Name 2-Methylsulfonyl-4',5',6'-trichlorobiphenyl
Alternate Name(s) 2,3,4-trichloro-2'-(methylsulfonyl)-1,1'-biphenyl Methyl 2',3',4'-trichloro[1,1'-biphenyl]-2-yl sulfone
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Formula C13H9Cl3O2S
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)11-5-3-2-4-8(11)9-6-7-10(14)13(16)12(9)15/h2-7H,1H3
InChIKey VTSMIUIIBUWXRR-UHFFFAOYSA-N
Molecular Weight 335.632 g/mol
SMILES c1(S(=O)(=O)C)c(-c2c(c(Cl)c(cc2)Cl)Cl)cccc1
SPLASH splash10-0072-0090000000-9852eafef09df975cdd2
Source of Spectrum KO-7-24-2
Wiley ID 1330575