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2-(2-benzoyl-3-thienyl)-4,5,6,7-tetrachloro-2-phenyl-1,3-benzodioxole
SpectraBase Compound ID I4dEZGsAW7r
InChI InChI=1S/C24H12Cl4O3S/c25-16-17(26)19(28)22-21(18(16)27)30-24(31-22,14-9-5-2-6-10-14)15-11-12-32-23(15)20(29)13-7-3-1-4-8-13/h1-12H
InChIKey CIQCRBVILWQJMP-UHFFFAOYSA-N
Mol Weight 522.2 g/mol
Molecular Formula C24H12Cl4O3S
Exact Mass 519.926126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8gvfQxyOOX
Name 2-(2-benzoyl-3-thienyl)-4,5,6,7-tetrachloro-2-phenyl-1,3-benzodioxole
CAS Registry Number 105480-50-0
Comments Less than 3 mono-isotopic peaks
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Formula C24H12Cl4O3S
InChI InChI=1S/C24H12Cl4O3S/c25-16-17(26)19(28)22-21(18(16)27)30-24(31-22,14-9-5-2-6-10-14)15-11-12-32-23(15)20(29)13-7-3-1-4-8-13/h1-12H
InChIKey CIQCRBVILWQJMP-UHFFFAOYSA-N
Molecular Weight 522.229 g/mol
SMILES C1(c2c(C(=O)c3ccccc3)scc2)(Oc2c(c(Cl)c(c(c2O1)Cl)Cl)Cl)c1ccccc1
SPLASH splash10-004i-0090000000-8602e3b19c36b4dbe7d4
Source of Spectrum K-122-1128-25
Synonyms phenyl[3-(4,5,6,7-tetrachloro-2-phenyl-1,3-benzodioxol-2-yl)-2-thienyl]methanone
Wiley ID 1401900