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4-Chloro-2-{4-[N-ethyl-N-(2-hydroxyethyl)amino]phenylazo}-5-(4-hydroxyphenyliminomethyl)thiazole
SpectraBase Compound ID B5UHp0h2SVL
InChI InChI=1S/C20H20ClN5O2S/c1-2-26(11-12-27)16-7-3-15(4-8-16)24-25-20-23-19(21)18(29-20)13-22-14-5-9-17(28)10-6-14/h3-10,13,27-28H,2,11-12H2,1H3/b22-13+,25-24+
InChIKey STMZGVBPYPEBEO-ZOSJBBHMSA-N
Mol Weight 429.93 g/mol
Molecular Formula C20H20ClN5O2S
Exact Mass 429.102624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EUBUGRbjg5
Name 4-Chloro-2-{4-[N-ethyl-N-(2-hydroxyethyl)amino]phenylazo}-5-(4-hydroxyphenyliminomethyl)thiazole
Comments Computed using HOSE algorithm
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Exact Mass 429.102623776 u
Formula C20H20ClN5O2S
InChI InChI=1S/C20H20ClN5O2S/c1-2-26(11-12-27)16-7-3-15(4-8-16)24-25-20-23-19(21)18(29-20)13-22-14-5-9-17(28)10-6-14/h3-10,13,27-28H,2,11-12H2,1H3/b22-13+,25-24+
InChIKey STMZGVBPYPEBEO-ZOSJBBHMSA-N
Molecular Weight 429.926 g/mol
SMILES C=1(N=C(SC1\C=N\C=1C=CC(=CC1)O)\N=N\C=1C=CC(=CC1)N(CCO)CC)Cl