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2-{4-[Bis(2-Hydroxyethyl)amino]phenylazo}-4-chloro-5-(4-hydroxy-2-methylphenyliminomethyl)thiazole
SpectraBase Compound ID As9fipPOg7J
InChI InChI=1S/C21H22ClN5O3S/c1-14-12-17(30)6-7-18(14)23-13-19-20(22)24-21(31-19)26-25-15-2-4-16(5-3-15)27(8-10-28)9-11-29/h2-7,12-13,28-30H,8-11H2,1H3/b23-13+,26-25+
InChIKey SUNWQKCMYXPGHF-VKDWVBNMSA-N
Mol Weight 459.95 g/mol
Molecular Formula C21H22ClN5O3S
Exact Mass 459.113188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1fgTsVLw5K
Name 2-{4-[Bis(2-Hydroxyethyl)amino]phenylazo}-4-chloro-5-(4-hydroxy-2-methylphenyliminomethyl)thiazole
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Formula C21H22ClN5O3S
InChI InChI=1S/C21H22ClN5O3S/c1-14-12-17(30)6-7-18(14)23-13-19-20(22)24-21(31-19)26-25-15-2-4-16(5-3-15)27(8-10-28)9-11-29/h2-7,12-13,28-30H,8-11H2,1H3/b23-13+,26-25+
InChIKey SUNWQKCMYXPGHF-VKDWVBNMSA-N
Molecular Weight 459.952 g/mol
SMILES Oc1cc(c(\N=C\c2c(nc(\N=N\c3ccc(N(CCO)CCO)cc3)s2)Cl)cc1)C
SPLASH splash10-00di-2900100000-60ef91e9d94779594b15
Source of Spectrum AJ-72-131-6
Synonyms 4-({(E)-[2-((E)-{4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-4-chloro-1,3-thiazol-5-yl]methylidene}amino)-3-methylphenol
Wiley ID 774893