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2,6-di(thiophen-3-yl)-3,5-bis(p-tolylethynyl)pyridine
SpectraBase Compound ID JPyPdda7YBy
InChI InChI=1S/C31H21NS2/c1-22-3-7-24(8-4-22)11-13-26-19-27(14-12-25-9-5-23(2)6-10-25)31(29-16-18-34-21-29)32-30(26)28-15-17-33-20-28/h3-10,15-21H,1-2H3
InChIKey QAZOIFDPPJPMGH-UHFFFAOYSA-N
Mol Weight 471.64 g/mol
Molecular Formula C31H21NS2
Exact Mass 471.111542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2NbOOVdefw
Name 2,6-di(thiophen-3-yl)-3,5-bis(p-tolylethynyl)pyridine
Appearance Off-white solid
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Formula C31H21NS2
InChI InChI=1S/C31H21NS2/c1-22-3-7-24(8-4-22)11-13-26-19-27(14-12-25-9-5-23(2)6-10-25)31(29-16-18-34-21-29)32-30(26)28-15-17-33-20-28/h3-10,15-21H,1-2H3
InChIKey QAZOIFDPPJPMGH-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 471.636 g/mol
Reported Formula C31H21NS2
SMILES c1(c(cc(c(n1)-c1ccsc1)C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C)-c1cscc1
SPLASH splash10-00di-0050900000-3d71355baf100941e229
Source of Spectrum ASC-361-SM13-3s
Wiley ID 1837997