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1-(benzenesulfonyl)-2-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-3-phenylsulfanyl-indole
SpectraBase Compound ID ryCeTZic9g
InChI InChI=1S/C29H24BrNO4S2/c1-34-27-19-24(30)28(35-2)18-20(27)17-26-29(36-21-11-5-3-6-12-21)23-15-9-10-16-25(23)31(26)37(32,33)22-13-7-4-8-14-22/h3-16,18-19H,17H2,1-2H3
InChIKey MIALVMBQLLWGDV-UHFFFAOYSA-N
Mol Weight 594.54 g/mol
Molecular Formula C29H24BrNO4S2
Exact Mass 593.033014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXHrDGohIk4
Name 1-(benzenesulfonyl)-2-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-3-phenylsulfanyl-indole
Alternate Name(s) 1-(benzenesulfonyl)-2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-(phenylthio)indole 1-besyl-2-(4-bromo-2,5-dimethoxy-benzyl)-3-(phenylthio)indole 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-3-phenylsulfanyl-1-(phenylsulfonyl)indole
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Formula C29H24BrNO4S2
InChI InChI=1S/C29H24BrNO4S2/c1-34-27-19-24(30)28(35-2)18-20(27)17-26-29(36-21-11-5-3-6-12-21)23-15-9-10-16-25(23)31(26)37(32,33)22-13-7-4-8-14-22/h3-16,18-19H,17H2,1-2H3
InChIKey MIALVMBQLLWGDV-UHFFFAOYSA-N
Molecular Weight 594.538 g/mol
SMILES c1(S([n]2c(c(Sc3ccccc3)c3c2cccc3)Cc2c(cc(c(c2)OC)Br)OC)(=O)=O)ccccc1
SPLASH splash10-0fid-7042890000-3b4d8c920ac7044b0e2f
Source of Spectrum SO-0-836-3
Wiley ID 1543529