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6-Bis(4-cyanophenyl)amino-2,3,4,7-tetramethylbenzo[b]thiophene
SpectraBase Compound ID KTlA77WbhMY
InChI InChI=1S/C26H21N3S/c1-16-13-24(18(3)26-25(16)17(2)19(4)30-26)29(22-9-5-20(14-27)6-10-22)23-11-7-21(15-28)8-12-23/h5-13H,1-4H3
InChIKey LGVCNMCZZMSYHY-UHFFFAOYSA-N
Mol Weight 407.54 g/mol
Molecular Formula C26H21N3S
Exact Mass 407.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0Botbx24UK
Name 6-Bis(4-cyanophenyl)amino-2,3,4,7-tetramethylbenzo[b]thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C26H21N3S
InChI InChI=1S/C26H21N3S/c1-16-13-24(18(3)26-25(16)17(2)19(4)30-26)29(22-9-5-20(14-27)6-10-22)23-11-7-21(15-28)8-12-23/h5-13H,1-4H3
InChIKey LGVCNMCZZMSYHY-UHFFFAOYSA-N
Molecular Weight 407.535 g/mol
SMILES c12sc(C)c(c2c(C)cc(c1C)N(c1ccc(C#N)cc1)c1ccc(C#N)cc1)C
SPLASH splash10-0a4i-0000900000-4c30298c603f4f7687cb
Source of Spectrum F-59-980-6b
Wiley ID 1676962