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1,2-Dibromo-3,4,4-trichloro-1-(2,6-dimethylphenylthio)-1,3-butadiene
SpectraBase Compound ID KMGjTsWiP6k
InChI InChI=1S/C12H9Br2Cl3S/c1-6-4-3-5-7(2)10(6)18-11(14)8(13)9(15)12(16)17/h3-5H,1-2H3/b11-8-
InChIKey ZGQDPSQJUUWDJQ-FLIBITNWSA-N
Mol Weight 451.43 g/mol
Molecular Formula C12H9Br2Cl3S
Exact Mass 447.785731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eddm9RgkDH2
Name 1,2-Dibromo-3,4,4-trichloro-1-(2,6-dimethylphenylthio)-1,3-butadiene
Alternate Name(s) (E)-(1,2-dibromo-3,4,4-trichlorobuta-1,3-dien-1-yl)(2,6-dimethylphenyl)sulfane
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Formula C12H9Br2Cl3S
InChI InChI=1S/C12H9Br2Cl3S/c1-6-4-3-5-7(2)10(6)18-11(14)8(13)9(15)12(16)17/h3-5H,1-2H3/b11-8-
InChIKey ZGQDPSQJUUWDJQ-FLIBITNWSA-N
Literature Reference DOI 10.5012/bkcs.2010.31.8.2255
Molecular Weight 451.431 g/mol
SMILES C(Cl)(=C(Cl)\C(=C\(Sc1c(cccc1C)C)Br)Br)Cl
SPLASH splash10-0a4i-0951500000-6a6f9cad60199a22fe1c
Source of Spectrum QB-31-3-9c
Wiley ID 1743663