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4-((E)-{[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl)-2-ethoxyphenyl 4-methylbenzenesulfonate
SpectraBase Compound ID LosqocEpGDE
InChI InChI=1S/C25H21Cl2N3O4S2/c1-3-33-24-12-17(6-11-23(24)34-36(31,32)19-8-4-16(2)5-9-19)14-28-30-25-29-22(15-35-25)20-10-7-18(26)13-21(20)27/h4-15H,3H2,1-2H3,(H,29,30)/b28-14+
InChIKey OMPUHYJMAKEUAU-CCVNUDIWSA-N
Mol Weight 562.49 g/mol
Molecular Formula C25H21Cl2N3O4S2
Exact Mass 561.035054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZH2K2BNGRR
Name 4-((E)-{[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl)-2-ethoxyphenyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 561.035053912 u
Formula C25H21Cl2N3O4S2
InChI InChI=1S/C25H21Cl2N3O4S2/c1-3-33-24-12-17(6-11-23(24)34-36(31,32)19-8-4-16(2)5-9-19)14-28-30-25-29-22(15-35-25)20-10-7-18(26)13-21(20)27/h4-15H,3H2,1-2H3,(H,29,30)/b28-14+
InChIKey OMPUHYJMAKEUAU-CCVNUDIWSA-N
Molecular Weight 562.486 g/mol
SMILES N(C1=NC(C2=C(C=C(C=C2)Cl)Cl)=CS1)\N=C\C=1C=CC(OS(C=2C=CC(=CC2)C)(=O)=O)=C(C1)OCC