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4-[ (1E)-2-(5-Ethoxybenzothiazol-2-yl)diazenyl]-N-{(1E)-4-{(1E)-{{4-[(1E)-2-(5-nitrobenzothiazol-2-yl)diazenyl]phenyl}imino}methyl}phenyl}methylenebenzenamine
SpectraBase Compound ID 1sqCReXFdWl
InChI InChI=1S/C36H25N9O3S2/c1-2-48-30-16-18-34-32(20-30)40-36(50-34)44-42-28-13-9-26(10-14-28)38-22-24-5-3-23(4-6-24)21-37-25-7-11-27(12-8-25)41-43-35-39-31-19-29(45(46)47)15-17-33(31)49-35/h3-22H,2H2,1H3/b37-21+,38-22+,43-41+,44-42+
InChIKey MELGWWSOLHJXFV-GXMSXUILSA-N
Mol Weight 695.8 g/mol
Molecular Formula C36H25N9O3S2
Exact Mass 695.152178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItjV0KY3eb0
Name 4-[ (1E)-2-(5-Ethoxybenzothiazol-2-yl)diazenyl]-N-{(1E)-4-{(1E)-{{4-[(1E)-2-(5-nitrobenzothiazol-2-yl)diazenyl]phenyl}imino}methyl}phenyl}methylenebenzenamine
Alternate Name(s) (E)-N-(4-((E)-(5-ethoxybenzo[d]thiazol-2-yl)diazenyl)phenyl)-1-(4-((E)-((4-((E)-(5-nitrobenzo[d]thiazol-2-yl)diazenyl)phenyl)imino)methyl)phenyl)methanimine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H25N9O3S2
InChI InChI=1S/C36H25N9O3S2/c1-2-48-30-16-18-34-32(20-30)40-36(50-34)44-42-28-13-9-26(10-14-28)38-22-24-5-3-23(4-6-24)21-37-25-7-11-27(12-8-25)41-43-35-39-31-19-29(45(46)47)15-17-33(31)49-35/h3-22H,2H2,1H3/b37-21+,38-22+,43-41+,44-42+
InChIKey MELGWWSOLHJXFV-GXMSXUILSA-N
Literature Reference DOI 10.1002/hlca.201200080
Molecular Weight 695.776 g/mol
SMILES c1(ccc(cc1)\N=N\c1sc2c(n1)cc(cc2)OCC)\N=C\c1ccc(cc1)\C=N\c1ccc(cc1)\N=N\c1sc2c(n1)cc(cc2)[N+](=O)[O-]
SPLASH splash10-0006-9761000000-b19d8ac762a9f515455a
Source of Spectrum H-95-1554-4d
Wiley ID 1784484