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3,3',4,4'-tetrakis[Phenylethynyl]-2,2'-bithiophene-5,5'-dicarbaldehyde
SpectraBase Compound ID J4yxKhQXDAf
InChI InChI=1S/C42H22O2S2/c43-29-39-35(25-21-31-13-5-1-6-14-31)37(27-23-33-17-9-3-10-18-33)41(45-39)42-38(28-24-34-19-11-4-12-20-34)36(40(30-44)46-42)26-22-32-15-7-2-8-16-32/h1-20,29-30H
InChIKey DVWQJIFTWVHHKR-UHFFFAOYSA-N
Mol Weight 622.8 g/mol
Molecular Formula C42H22O2S2
Exact Mass 622.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxhEwRDF4Ls
Name 3,3',4,4'-tetrakis[Phenylethynyl]-2,2'-bithiophene-5,5'-dicarbaldehyde
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Formula C42H22O2S2
InChI InChI=1S/C42H22O2S2/c43-29-39-35(25-21-31-13-5-1-6-14-31)37(27-23-33-17-9-3-10-18-33)41(45-39)42-38(28-24-34-19-11-4-12-20-34)36(40(30-44)46-42)26-22-32-15-7-2-8-16-32/h1-20,29-30H
InChIKey DVWQJIFTWVHHKR-UHFFFAOYSA-N
Molecular Weight 622.756 g/mol
SMILES c1(-c2c(c(C#Cc3ccccc3)c(s2)C=O)C#Cc2ccccc2)c(c(C#Cc2ccccc2)c(s1)C=O)C#Cc1ccccc1
SPLASH splash10-00di-0000019000-2688cd08876ec35e4f66
Source of Spectrum H-79-765-1
Synonyms 5-[5-formyl-3,4-bis(2-phenylethynyl)thiophen-2-yl]-3,4-bis(2-phenylethynyl)thiophene-2-carbaldehyde
Wiley ID 1411701