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4"-Bromo-[1 .l'-biphenyl]-4-yl methylsulfonyl methanone
SpectraBase Compound ID KADAVqI2VxX
InChI InChI=1S/C20H15BrO3S/c1-25(23,24)19-12-8-17(9-13-19)20(22)16-4-2-14(3-5-16)15-6-10-18(21)11-7-15/h2-13H,1H3
InChIKey AWYCSWYTCYFCPB-UHFFFAOYSA-N
Mol Weight 415.3 g/mol
Molecular Formula C20H15BrO3S
Exact Mass 413.992529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PSRsLWuD8W
Name 4"-Bromo-[1 .l'-biphenyl]-4-yl methylsulfonyl methanone
Alternate Name(s) 4''-Bromo-[1,1'-biphenyl]-4-yl methylsulfonyl methanone (4'-bromo-[1,1'-biphenyl]-4-yl)(4-(methylsulfonyl)phenyl)methanone [4-(4-bromophenyl)phenyl]-(4-methylsulfonylphenyl)methanone
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Formula C20H15BrO3S
InChI InChI=1S/C20H15BrO3S/c1-25(23,24)19-12-8-17(9-13-19)20(22)16-4-2-14(3-5-16)15-6-10-18(21)11-7-15/h2-13H,1H3
InChIKey AWYCSWYTCYFCPB-UHFFFAOYSA-N
Molecular Weight 415.301 g/mol
SMILES c1(S(=O)(=O)C)ccc(C(c2ccc(cc2)-c2ccc(cc2)Br)=O)cc1
SPLASH splash10-0006-9000600000-75d28cfa6f37f873996b
Source of Spectrum EMC-31-917-IIIf
Wiley ID 1734640