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3,5-Bis(phenylethynyl)-2,6-di(thiophen-3-yl)pyridine
SpectraBase Compound ID Lks1wcagwgT
InChI InChI=1S/C29H17NS2/c1-3-7-22(8-4-1)11-13-24-19-25(14-12-23-9-5-2-6-10-23)29(27-16-18-32-21-27)30-28(24)26-15-17-31-20-26/h1-10,15-21H
InChIKey RGYYSSAQQFGRBE-UHFFFAOYSA-N
Mol Weight 443.58 g/mol
Molecular Formula C29H17NS2
Exact Mass 443.080242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCj9K9vzMsU
Name 3,5-Bis(phenylethynyl)-2,6-di(thiophen-3-yl)pyridine
Appearance Off-white solid
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Formula C29H17NS2
InChI InChI=1S/C29H17NS2/c1-3-7-22(8-4-1)11-13-24-19-25(14-12-23-9-5-2-6-10-23)29(27-16-18-32-21-27)30-28(24)26-15-17-31-20-26/h1-10,15-21H
InChIKey RGYYSSAQQFGRBE-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 443.582 g/mol
Reported Formula C29H17NS2
SMILES c1(c(cc(c(n1)-c1cscc1)C#Cc1ccccc1)C#Cc1ccccc1)-c1cscc1
SPLASH splash10-0006-0000900000-55360f6848cf4deba9b7
Source of Spectrum ASC-361-SM13-3r
Wiley ID 1837996