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Methyl 2,4-bis(4-bromophenyl)-6-(methylthio)benzene
SpectraBase Compound ID LKaJuyATd2e
InChI InChI=1S/C21H16Br2O2S/c1-25-21(24)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)26-2)13-3-7-16(22)8-4-13/h3-12H,1-2H3
InChIKey DAVHBUVFLWVEOX-UHFFFAOYSA-N
Mol Weight 492.23 g/mol
Molecular Formula C21H16Br2O2S
Exact Mass 489.923777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCUfGlovrpd
Name Methyl 2,4-bis(4-bromophenyl)-6-(methylthio)benzene
Alternate Name(s) Methyl 2,4-bis(4-bromophenyl)-6-(methylthio)benzoate Methyl 2,4-bis(4-bromophenyl)-6-methylsulfanylbenzoate Methyl 2,4-bis(4-bromophenyl)-6-methylsulfanyl-benzoate
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Formula C21H16Br2O2S
InChI InChI=1S/C21H16Br2O2S/c1-25-21(24)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)26-2)13-3-7-16(22)8-4-13/h3-12H,1-2H3
InChIKey DAVHBUVFLWVEOX-UHFFFAOYSA-N
Molecular Weight 492.225 g/mol
SMILES c1(c(cc(cc1SC)-c1ccc(cc1)Br)-c1ccc(cc1)Br)C(=O)OC
SPLASH splash10-03dl-0000900000-f2fc11fa6456ffc59dee
Source of Spectrum SO-0-168-2
Wiley ID 875305