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4-[(1E)-2-(5-Methoxybenzothiazol-2-yl)diazenyl]-N-{(1E,2E)-2-{{4-[(1E)-2-(5-nitrobenzothiazol-2-yl)diazenyl]phenyl}imino}ethylidene}benzenamine
SpectraBase Compound ID Gn1dmcfcEE
InChI InChI=1S/C29H19N9O3S2/c1-41-23-11-13-27-25(17-23)33-29(43-27)37-35-21-8-4-19(5-9-21)31-15-14-30-18-2-6-20(7-3-18)34-36-28-32-24-16-22(38(39)40)10-12-26(24)42-28/h2-17H,1H3/b30-14+,31-15+,36-34+,37-35+
InChIKey BRWJKOBDFGAEDH-PUQUKXMPSA-N
Mol Weight 605.65 g/mol
Molecular Formula C29H19N9O3S2
Exact Mass 605.105228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2T9h1fse6c
Name 4-[(1E)-2-(5-Methoxybenzothiazol-2-yl)diazenyl]-N-{(1E,2E)-2-{{4-[(1E)-2-(5-nitrobenzothiazol-2-yl)diazenyl]phenyl}imino}ethylidene}benzenamine
Alternate Name(s) (1E,2E)-N1-(4-((E)-(5-methoxybenzo[d]thiazol-2-yl)diazenyl)phenyl)-N2-(4-((E)-(5-nitrobenzo[d]thiazol-2-yl)diazenyl)phenyl)ethane-1,2-diimine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H19N9O3S2
InChI InChI=1S/C29H19N9O3S2/c1-41-23-11-13-27-25(17-23)33-29(43-27)37-35-21-8-4-19(5-9-21)31-15-14-30-18-2-6-20(7-3-18)34-36-28-32-24-16-22(38(39)40)10-12-26(24)42-28/h2-17H,1H3/b30-14+,31-15+,36-34+,37-35+
InChIKey BRWJKOBDFGAEDH-PUQUKXMPSA-N
Literature Reference DOI 10.1002/hlca.201200080
Molecular Weight 605.651 g/mol
SMILES c1(ccc(cc1)\N=N\c1sc2c(n1)cc(cc2)OC)\N=C\C=N\c1ccc(cc1)\N=N\c1sc2c(n1)cc(cc2)[N+](=O)[O-]
SPLASH splash10-00l6-6900000000-872d5ae340a23c8801ac
Source of Spectrum H-95-1554-4a
Wiley ID 1784482