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5,5'-Dibenzoyl-3,3'-bis(phenylethynyl)-2,2'-bithiophene
SpectraBase Compound ID GjxVxlLrDbk
InChI InChI=1S/C38H22O2S2/c39-35(29-17-9-3-10-18-29)33-25-31(23-21-27-13-5-1-6-14-27)37(41-33)38-32(24-22-28-15-7-2-8-16-28)26-34(42-38)36(40)30-19-11-4-12-20-30/h1-20,25-26H
InChIKey MSBXWESOTHUSON-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C38H22O2S2
Exact Mass 574.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6A90ZtoJe81
Name 5,5'-Dibenzoyl-3,3'-bis(phenylethynyl)-2,2'-bithiophene
Alternate Name(s) {5-[5-benzoyl-3-(2-phenylethynyl)thiophen-2-yl]-4-(2-phenylethynyl)thiophen-2-yl}(phenyl)methanone [5-[5-benzoyl-3-(2-phenylethynyl)-2-thiophenyl]-4-(2-phenylethynyl)-2-thiophenyl]-phenylmethanone [5-[5-benzoyl-3-(2-phenylethynyl)thiophen-2-yl]-4-(2-phenylethynyl)thiophen-2-yl]-phenylmethanone phenyl-[5-[5-(phenylcarbonyl)-3-(2-phenylethynyl)thiophen-2-yl]-4-(2-phenylethynyl)thiophen-2-yl]methanone
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Formula C38H22O2S2
InChI InChI=1S/C38H22O2S2/c39-35(29-17-9-3-10-18-29)33-25-31(23-21-27-13-5-1-6-14-27)37(41-33)38-32(24-22-28-15-7-2-8-16-28)26-34(42-38)36(40)30-19-11-4-12-20-30/h1-20,25-26H
InChIKey MSBXWESOTHUSON-UHFFFAOYSA-N
Molecular Weight 574.712 g/mol
SMILES c1(-c2sc(C(=O)c3ccccc3)cc2C#Cc2ccccc2)sc(C(=O)c2ccccc2)cc1C#Cc1ccccc1
SPLASH splash10-05di-2400090000-657fff5af7d1b396ef6b
Source of Spectrum SO-0-1030-6
Wiley ID 874863