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N-(4-Chlorophenylsulfonylimino)-2,3,6-tribromo-1,4-benzoquinone
SpectraBase Compound ID ZXEEo9QZ90
InChI InChI=1S/C12H5Br3ClNO3S/c13-8-5-9(18)10(14)11(15)12(8)17-21(19,20)7-3-1-6(16)2-4-7/h1-5H/b17-12+
InChIKey AXEDHEJIOHAAML-SFQUDFHCSA-N
Mol Weight 518.4 g/mol
Molecular Formula C12H5Br3ClNO3S
Exact Mass 514.722881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qTZ3L57n88
Name N-(4-Chlorophenylsulfonylimino)-2,3,6-tribromo-1,4-benzoquinone
Alternate Name(s) 4-Chloro-N-[(1E)-2,3,6-tribromo-4-oxo-2,5-cyclohexadien-1-ylidene]benzenesulfonamide
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Formula C12H5Br3ClNO3S
InChI InChI=1S/C12H5Br3ClNO3S/c13-8-5-9(18)10(14)11(15)12(8)17-21(19,20)7-3-1-6(16)2-4-7/h1-5H/b17-12+
InChIKey AXEDHEJIOHAAML-SFQUDFHCSA-N
Molecular Weight 518.401 g/mol
SMILES C=1(\C(C(=CC(C1Br)=O)Br)=N\S(c1ccc(cc1)Cl)(=O)=O)Br
SPLASH splash10-001i-0907000000-f41dce697fdb9938ce80
Source of Spectrum O1-36-1189-2
Wiley ID 819950