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N-(Phenylsulfonylimino)-2,3,6-tribromo-1,4-benzoquinone
SpectraBase Compound ID KjoXw5eUp31
InChI InChI=1S/C12H6Br3NO3S/c13-8-6-9(17)10(14)11(15)12(8)16-20(18,19)7-4-2-1-3-5-7/h1-6H/b16-12+
InChIKey YUDYRAXCKMJIGL-FOWTUZBSSA-N
Mol Weight 483.96 g/mol
Molecular Formula C12H6Br3NO3S
Exact Mass 480.761853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xEvotRuoZW
Name N-(Phenylsulfonylimino)-2,3,6-tribromo-1,4-benzoquinone
Alternate Name(s) N-[(1E)-2,3,6-tribromo-4-oxo-2,5-cyclohexadien-1-ylidene]benzenesulfonamide
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Formula C12H6Br3NO3S
InChI InChI=1S/C12H6Br3NO3S/c13-8-6-9(17)10(14)11(15)12(8)16-20(18,19)7-4-2-1-3-5-7/h1-6H/b16-12+
InChIKey YUDYRAXCKMJIGL-FOWTUZBSSA-N
Molecular Weight 483.956 g/mol
SMILES C=1(\C(C(=CC(C1Br)=O)Br)=N\S(=O)(=O)c1ccccc1)Br
SPLASH splash10-004i-9613100000-afc4c270c6b4e54da40f
Source of Spectrum O1-36-1189-2
Wiley ID 819951