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4,4'-(3,4-Dimethylthieno[2,3-b]thiophene-2,5-diyl)bis(2-(2-(3-nitrobenzylidene)hydrazinyl)thiazole)
SpectraBase Compound ID KtuIJupONES
InChI InChI=1S/C28H20N8O4S4/c1-15-23-16(2)25(22-14-42-28(32-22)34-30-12-18-6-4-8-20(10-18)36(39)40)44-26(23)43-24(15)21-13-41-27(31-21)33-29-11-17-5-3-7-19(9-17)35(37)38/h3-14H,1-2H3,(H,31,33)(H,32,34)
InChIKey KVVZQZCCQICARM-UHFFFAOYSA-N
Mol Weight 660.8 g/mol
Molecular Formula C28H20N8O4S4
Exact Mass 660.049036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRO5Q4QfP8g
Name 4,4'-(3,4-Dimethylthieno[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 C28H20N8O4S4
InChI InChI=1S/C28H20N8O4S4/c1-15-23-16(2)25(22-14-42-28(32-22)34-30-12-18-6-4-8-20(10-18)36(39)40)44-26(23)43-24(15)21-13-41-27(31-21)33-29-11-17-5-3-7-19(9-17)35(37)38/h3-14H,1-2H3,(H,31,33)(H,32,34)
InChIKey KVVZQZCCQICARM-UHFFFAOYSA-N
Instrument Name GCMS-Q1000-EX Shimadzu, GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2869
Molecular Weight 660.760 g/mol
SMILES N(N=Cc1cc(ccc1)[N+]([O-])=O)c1nc(-c2sc3c(c(c(-c4csc(n4)NN=Cc4cccc(c4)[N+]([O-])=O)s3)C)c2C)cs1
SPLASH splash10-03di-9435554000-4c962e0887bc1594f234
Source of Spectrum Y-54-2693-5t
Wiley ID 1878538