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4-((E)-{[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl)-2-methoxyphenyl benzenesulfonate

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4-((E)-{[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl)-2-methoxyphenyl benzenesulfonate
SpectraBase Compound ID 6S5JhiaQgSA
InChI InChI=1S/C23H17Cl2N3O4S2/c1-31-22-11-15(7-10-21(22)32-34(29,30)17-5-3-2-4-6-17)13-26-28-23-27-20(14-33-23)18-9-8-16(24)12-19(18)25/h2-14H,1H3,(H,27,28)/b26-13+
InChIKey SLWLKBJGEQZVNN-LGJNPRDNSA-N
Mol Weight 534.43 g/mol
Molecular Formula C23H17Cl2N3O4S2
Exact Mass 533.003754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1z7zrs9AQF8
Name 4-((E)-{[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl)-2-methoxyphenyl benzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 533.003753783 u
Formula C23H17Cl2N3O4S2
InChI InChI=1S/C23H17Cl2N3O4S2/c1-31-22-11-15(7-10-21(22)32-34(29,30)17-5-3-2-4-6-17)13-26-28-23-27-20(14-33-23)18-9-8-16(24)12-19(18)25/h2-14H,1H3,(H,27,28)/b26-13+
InChIKey SLWLKBJGEQZVNN-LGJNPRDNSA-N
Molecular Weight 534.432 g/mol
SMILES N(C1=NC(C2=C(C=C(C=C2)Cl)Cl)=CS1)\N=C\C=1C=CC(OS(=O)(=O)C2=CC=CC=C2)=C(C1)OC