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1,4-Bis(3,4'-dimethyl-5:2,2':5',2"-terthienyl)-1,4-butanedione
SpectraBase Compound ID G9kBQuJvARl
InChI InChI=1S/C32H26O2S6/c1-17-19(3)31(39-29(17)25-7-5-15-35-25)27-13-11-23(37-27)21(33)9-10-22(34)24-12-14-28(38-24)32-20(4)18(2)30(40-32)26-8-6-16-36-26/h5-8,11-16H,9-10H2,1-4H3
InChIKey NFMOPEFJPDVZJD-UHFFFAOYSA-N
Mol Weight 634.9 g/mol
Molecular Formula C32H26O2S6
Exact Mass 634.025707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzT8kLoWiLw
Name 1,4-Bis-(3',4'-dimethyl-5:2,2':5',2''-terthienyl)-1,4-butanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26O2S6
InChI InChI=1S/C32H26O2S6/c1-17-19(3)31(39-29(17)25-7-5-15-35-25)27-13-11-23(37-27)21(33)9-10-22(34)24-12-14-28(38-24)32-20(4)18(2)30(40-32)26-8-6-16-36-26/h5-8,11-16H,9-10H2,1-4H3
InChIKey NFMOPEFJPDVZJD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.199200056
Molecular Weight 634.918 g/mol
SMILES c1c(-c2sc(c(c2C)C)-c2sccc2)sc(C(=O)CCC(=O)c2sc(-c3c(c(c(s3)-c3cccs3)C)C)cc2)c1
SPLASH splash10-0a59-9105001000-9ff1f6a9f031f58928eb
Source of Spectrum QA-39-330-15
Synonyms 1,4-bis(3',4'-dimethyl-[2,2':5',2''-terthiophen]-5-yl)butane-1,4-dione
Wiley ID 1795036