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3,3'-(1-(4-(Methylthio)phenyl)ethane-1,2-diyl)bis(1-methyl-1H-indole)
SpectraBase Compound ID 5aL9dhVa8r9
InChI InChI=1S/C27H26N2S/c1-28-17-20(22-8-4-6-10-26(22)28)16-24(19-12-14-21(30-3)15-13-19)25-18-29(2)27-11-7-5-9-23(25)27/h4-15,17-18,24H,16H2,1-3H3
InChIKey KCIRSHWSWNLSKW-UHFFFAOYSA-N
Mol Weight 410.58 g/mol
Molecular Formula C27H26N2S
Exact Mass 410.18167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYUJGRBRRb6
Name 3,3'-(1-(4-(Methylthio)phenyl)ethane-1,2-diyl)bis(1-methyl-1H-indole)
Appearance Yellow liquid
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Formula C27H26N2S
InChI InChI=1S/C27H26N2S/c1-28-17-20(22-8-4-6-10-26(22)28)16-24(19-12-14-21(30-3)15-13-19)25-18-29(2)27-11-7-5-9-23(25)27/h4-15,17-18,24H,16H2,1-3H3
InChIKey KCIRSHWSWNLSKW-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202011657
Molecular Weight 410.579 g/mol
Reported Formula C27H26N2S
SMILES c1cc(ccc1SC)C(c1c2c([n](c1)C)cccc2)Cc1c[n](c2c1cccc2)C
SPLASH splash10-014i-0090000000-7e84d50f4795769afa75
Source of Spectrum ACI-60-SM27-3faa
Wiley ID 1880529