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4,4'-((2,2'-(4,4'-(3,4-Diphenylthieno[2,3-b]thiophene-2,5-diyl)bis(thiazole-4,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(methanylylidene))bis(N,N-dimethylaniline)
SpectraBase Compound ID DC5vksMSPTt
InChI InChI=1S/C42H36N8S4/c1-49(2)31-19-15-27(16-20-31)23-43-47-41-45-33(25-51-41)38-35(29-11-7-5-8-12-29)37-36(30-13-9-6-10-14-30)39(54-40(37)53-38)34-26-52-42(46-34)48-44-24-28-17-21-32(22-18-28)50(3)4/h5-26H,1-4H3,(H,45,47)(H,46,48)
InChIKey MJHNHLFJWPJGBV-UHFFFAOYSA-N
Mol Weight 781.0 g/mol
Molecular Formula C42H36N8S4
Exact Mass 780.194578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WFRKi7k2ie
Name 4,4'-((2,2'-(4,4'-(3,4-Diphenylthieno[2,3-b]thiophene-2,5-diyl)bis(thiazole-4,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(methanylylidene))bis(N,N-dimethylaniline)
Appearance Yellow microcystals
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Formula C42H36N8S4
InChI InChI=1S/C42H36N8S4/c1-49(2)31-19-15-27(16-20-31)23-43-47-41-45-33(25-51-41)38-35(29-11-7-5-8-12-29)37-36(30-13-9-6-10-14-30)39(54-40(37)53-38)34-26-52-42(46-34)48-44-24-28-17-21-32(22-18-28)50(3)4/h5-26H,1-4H3,(H,45,47)(H,46,48)
InChIKey MJHNHLFJWPJGBV-UHFFFAOYSA-N
Instrument Name GCMS-Q1000-EX Shimadzu, GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2869
Molecular Weight 781.046 g/mol
SMILES N(N=Cc1ccc(cc1)N(C)C)c1nc(-c2sc3c(c(c(-c4csc(n4)NN=Cc4ccc(cc4)N(C)C)s3)-c3ccccc3)c2-c2ccccc2)cs1
SPLASH splash10-01ta-4539201100-9a755c0d7bf82d46c0e4
Source of Spectrum Y-54-2692-5i
Wiley ID 1878527