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3,3'-bis[Phenylethynyl]-2,2'-bithiophene-5,5'-dicarbaldehyde
SpectraBase Compound ID E3CiEmqtait
InChI InChI=1S/C26H14O2S2/c27-17-23-15-21(13-11-19-7-3-1-4-8-19)25(29-23)26-22(16-24(18-28)30-26)14-12-20-9-5-2-6-10-20/h1-10,15-18H
InChIKey NFRHMBRORSVJFF-UHFFFAOYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H14O2S2
Exact Mass 422.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlZukanAfBE
Name 3,3'-bis[Phenylethynyl]-2,2'-bithiophene-5,5'-dicarbaldehyde
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Formula C26H14O2S2
InChI InChI=1S/C26H14O2S2/c27-17-23-15-21(13-11-19-7-3-1-4-8-19)25(29-23)26-22(16-24(18-28)30-26)14-12-20-9-5-2-6-10-20/h1-10,15-18H
InChIKey NFRHMBRORSVJFF-UHFFFAOYSA-N
Molecular Weight 422.516 g/mol
SMILES c1(-c2c(C#Cc3ccccc3)cc(s2)C=O)c(C#Cc2ccccc2)cc(s1)C=O
SPLASH splash10-00di-0002900000-01a0403ba47b78b61535
Source of Spectrum H-79-764-1
Synonyms 5-[5-formyl-3-(2-phenylethynyl)thiophen-2-yl]-4-(2-phenylethynyl)thiophene-2-carbaldehyde
Wiley ID 1378730