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4,4'-(3,4-Diphenylthieno[2,3-b]thiophene-2,5-diyl)bis(2-(2-(3-nitrobenzylidene)hydrazinyl)thiazole)
SpectraBase Compound ID 98TolJRUcQh
InChI InChI=1S/C38H24N8O4S4/c47-45(48)27-15-7-9-23(17-27)19-39-43-37-41-29(21-51-37)34-31(25-11-3-1-4-12-25)33-32(26-13-5-2-6-14-26)35(54-36(33)53-34)30-22-52-38(42-30)44-40-20-24-10-8-16-28(18-24)46(49)50/h1-22H,(H,41,43)(H,42,44)
InChIKey LWTFDFFODBPKLH-UHFFFAOYSA-N
Mol Weight 784.9 g/mol
Molecular Formula C38H24N8O4S4
Exact Mass 784.080336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24JxTQY79Xq
Name 4,4'-(3,4-Diphenylthieno[2,3-b]thiophene-2,5-diyl)bis(2-(2-(3-nitrobenzylidene)hydrazinyl)thiazole)
Appearance Brown microcystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H24N8O4S4
InChI InChI=1S/C38H24N8O4S4/c47-45(48)27-15-7-9-23(17-27)19-39-43-37-41-29(21-51-37)34-31(25-11-3-1-4-12-25)33-32(26-13-5-2-6-14-26)35(54-36(33)53-34)30-22-52-38(42-30)44-40-20-24-10-8-16-28(18-24)46(49)50/h1-22H,(H,41,43)(H,42,44)
InChIKey LWTFDFFODBPKLH-UHFFFAOYSA-N
Instrument Name GCMS-Q1000-EX Shimadzu, GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2869
Molecular Weight 784.902 g/mol
SMILES N(N=Cc1cc(ccc1)[N+]([O-])=O)c1nc(-c2sc3c(c(c(-c4csc(n4)NN=Cc4cccc(c4)[N+]([O-])=O)s3)-c3ccccc3)c2-c2ccccc2)cs1
SPLASH splash10-0w4i-7209404700-9b9c730a03625694bafb
Source of Spectrum Y-54-2692-5h
Wiley ID 1878526