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1,4-Bis(3,4'-dimethyl-5:2,2':5',2"-terthienyl)-1,4-butanedione

View entire compound with spectra: 2 MS (GC)

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 20wlLJT11qI
Name 1,4-Bis(3,4'-dimethyl-5:2,2':5',2"-terthienyl)-1,4-butanedione
Alternate Name(s) 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
Molecular Weight 634.918 g/mol
SMILES c1(sc(-c2sccc2)c(c1C)C)-c1sc(C(CCC(c2sc(-c3sc(-c4sccc4)c(c3C)C)cc2)=O)=O)cc1
SPLASH splash10-001i-1309002000-d93de4957cf7d8855853
Source of Spectrum QA-39-329-15
Wiley ID 861520