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2-{4-[Bis(2-hydroxyethyl)amino]phenylazo}-4-chloro-5-(4-hydroxyphenyliminomethyl)thiazole

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2-{4-[Bis(2-hydroxyethyl)amino]phenylazo}-4-chloro-5-(4-hydroxyphenyliminomethyl)thiazole
SpectraBase Compound ID Fbka8IAl4Iw
InChI InChI=1S/C20H20ClN5O3S/c21-19-18(13-22-14-3-7-17(29)8-4-14)30-20(23-19)25-24-15-1-5-16(6-2-15)26(9-11-27)10-12-28/h1-8,13,27-29H,9-12H2/b22-13+,25-24+
InChIKey RFROTAZMWBYVPS-ZOSJBBHMSA-N
Mol Weight 445.93 g/mol
Molecular Formula C20H20ClN5O3S
Exact Mass 445.097538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnO6wHBUssg
Name 2-{4-[bis(2-Hydroxyethyl)amino]phenylazo}-4-chloro-5-(4-hydroxyphenyliminomethyl)thiazole
Comments Computed using HOSE algorithm
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Exact Mass 445.097538395 u
Formula C20H20ClN5O3S
InChI InChI=1S/C20H20ClN5O3S/c21-19-18(13-22-14-3-7-17(29)8-4-14)30-20(23-19)25-24-15-1-5-16(6-2-15)26(9-11-27)10-12-28/h1-8,13,27-29H,9-12H2/b22-13+,25-24+
InChIKey RFROTAZMWBYVPS-ZOSJBBHMSA-N
Molecular Weight 445.925 g/mol
SMILES C=1(N=C(SC1\C=N\C1=CC=C(C=C1)O)\N=N\C=1C=CC(=CC1)N(CCO)CCO)Cl