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3-Phenylthio-1-phenylsulfonyl-2-[2-(3,4-methylenedioxyphenyl)ethenyl]indole
SpectraBase Compound ID BRQJMmHtKG8
InChI InChI=1S/C29H21NO4S2/c31-36(32,23-11-5-2-6-12-23)30-25-14-8-7-13-24(25)29(35-22-9-3-1-4-10-22)26(30)17-15-21-16-18-27-28(19-21)34-20-33-27/h1-19H,20H2/b17-15+
InChIKey KABIKBJQQFEJMT-BMRADRMJSA-N
Mol Weight 511.61 g/mol
Molecular Formula C29H21NO4S2
Exact Mass 511.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9L1JVubi28L
Name 3-Phenylthio-1-phenylsulfonyl-2-[2-(3,4-methylenedioxyphenyl)ethenyl]indole
Comments Less than 3 mono-isotopic peaks
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Formula C29H21NO4S2
InChI InChI=1S/C29H21NO4S2/c31-36(32,23-11-5-2-6-12-23)30-25-14-8-7-13-24(25)29(35-22-9-3-1-4-10-22)26(30)17-15-21-16-18-27-28(19-21)34-20-33-27/h1-19H,20H2/b17-15+
InChIKey KABIKBJQQFEJMT-BMRADRMJSA-N
Molecular Weight 511.610 g/mol
SMILES c1(S([n]2c(c(Sc3ccccc3)c3c2cccc3)\C=C\c2cc3OCOc3cc2)(=O)=O)ccccc1
SPLASH splash10-03di-0090080000-1ee4bea4b7f660d22f1a
Source of Spectrum SO-0-189-7
Synonyms 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(phenylsulfonyl)-1H-indol-3-yl phenyl sulfide 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(phenylsulfanyl)-1-(phenylsulfonyl)-1H-indole
Wiley ID 1538496