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4,6-Bis[4-(phenylethynyl)phenyl]dibenzo[b,d]thiophene
SpectraBase Compound ID 3ITKcJokFcm
InChI InChI=1S/C40H24S/c1-3-9-29(10-4-1)17-19-31-21-25-33(26-22-31)35-13-7-15-37-38-16-8-14-36(40(38)41-39(35)37)34-27-23-32(24-28-34)20-18-30-11-5-2-6-12-30/h1-16,21-28H
InChIKey KQEHHWHKDJZFDO-UHFFFAOYSA-N
Mol Weight 536.7 g/mol
Molecular Formula C40H24S
Exact Mass 536.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19BzVtla4gt
Name 4,6-Bis[4-(phenylethynyl)phenyl]dibenzo[b,d]thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C40H24S
InChI InChI=1S/C40H24S/c1-3-9-29(10-4-1)17-19-31-21-25-33(26-22-31)35-13-7-15-37-38-16-8-14-36(40(38)41-39(35)37)34-27-23-32(24-28-34)20-18-30-11-5-2-6-12-30/h1-16,21-28H
InChIKey KQEHHWHKDJZFDO-UHFFFAOYSA-N
Molecular Weight 536.692 g/mol
SMILES c12sc3c(c2cccc1-c1ccc(C#Cc2ccccc2)cc1)cccc3-c1ccc(C#Cc2ccccc2)cc1
SPLASH splash10-000i-0010090000-c5c20f34a36f2eb1469a
Source of Spectrum F-67-6809-3ef
Wiley ID 1687359