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4,4',5,5'-tetrakis(Phenylethynyl)-2,2'-bithiophene
SpectraBase Compound ID 305APci6nnp
InChI InChI=1S/C40H22S2/c1-5-13-31(14-6-1)21-25-35-29-39(41-37(35)27-23-33-17-9-3-10-18-33)40-30-36(26-22-32-15-7-2-8-16-32)38(42-40)28-24-34-19-11-4-12-20-34/h1-20,29-30H
InChIKey IJYQXBUGBYAZQF-UHFFFAOYSA-N
Mol Weight 566.7 g/mol
Molecular Formula C40H22S2
Exact Mass 566.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G450miBygGO
Name 4,4',5,5'-tetrakis(Phenylethynyl)-2,2'-bithiophene
Comments Less than 3 mono-isotopic peaks
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Formula C40H22S2
InChI InChI=1S/C40H22S2/c1-5-13-31(14-6-1)21-25-35-29-39(41-37(35)27-23-33-17-9-3-10-18-33)40-30-36(26-22-32-15-7-2-8-16-32)38(42-40)28-24-34-19-11-4-12-20-34/h1-20,29-30H
InChIKey IJYQXBUGBYAZQF-UHFFFAOYSA-N
Molecular Weight 566.736 g/mol
SMILES c1(-c2sc(C#Cc3ccccc3)c(c2)C#Cc2ccccc2)sc(C#Cc2ccccc2)c(c1)C#Cc1ccccc1
SPLASH splash10-014i-0010090000-8a580a505175094f0366
Source of Spectrum H-79-763-2
Synonyms 5-[4,5-bis(2-phenylethynyl)thiophen-2-yl]-2,3-bis(2-phenylethynyl)thiophene
Wiley ID 1407391