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6'-(Methylsulfonyl)-2,4,5,3',4'-pentachlorobiphenyl
SpectraBase Compound ID G8BmkzW9PBT
InChI InChI=1S/C13H7Cl5O2S/c1-21(19,20)13-5-12(18)10(16)3-7(13)6-2-9(15)11(17)4-8(6)14/h2-5H,1H3
InChIKey GIIRQASDGPZRNS-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C13H7Cl5O2S
Exact Mass 401.860939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fg5SlrjClb8
Name 6'-(Methylsulfonyl)-2,4,5,3',4'-pentachlorobiphenyl
CAS Registry Number 140202-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7Cl5O2S
InChI InChI=1S/C13H7Cl5O2S/c1-21(19,20)13-5-12(18)10(16)3-7(13)6-2-9(15)11(17)4-8(6)14/h2-5H,1H3
InChIKey GIIRQASDGPZRNS-UHFFFAOYSA-N
Molecular Weight 404.522 g/mol
SMILES c1(c(S(=O)(=O)C)cc(c(c1)Cl)Cl)-c1c(cc(c(c1)Cl)Cl)Cl
SPLASH splash10-014i-0009100000-220b4b04d87c028081e4
Source of Spectrum CRT-11-1509-K
Synonyms 2,3',4,4',5-Pentachloro-6'-(methylsulfonyl)-1,1'-biphenyl 1,2-Dichloro-4-methylsulfonyl-5-(2,4,5-trichlorophenyl)benzene 1,2-bis(chloranyl)-4-methylsulfonyl-5-[2,4,5-tris(chloranyl)phenyl]benzene
Wiley ID 1709741