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3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-{[1-(4-fluoro-phenyl)-meth-(E)-ylidene]-hydrazono}-thiazolidin-4-one
SpectraBase Compound ID 5mfZ8zFUeJs
InChI InChI=1S/C20H20FN3O3S/c1-26-17-8-5-14(11-18(17)27-2)9-10-24-19(25)13-28-20(24)23-22-12-15-3-6-16(21)7-4-15/h3-8,11-12H,9-10,13H2,1-2H3/b22-12+,23-20+
InChIKey UDJCBRVLRCEDOY-SAMFAILSSA-N
Mol Weight 401.46 g/mol
Molecular Formula C20H20FN3O3S
Exact Mass 401.120941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kUnztkNCvC
Name 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-{[1-(4-fluoro-phenyl)-meth-(E)-ylidene]-hydrazono}-thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.120940850 u
Formula C20H20FN3O3S
InChI InChI=1S/C20H20FN3O3S/c1-26-17-8-5-14(11-18(17)27-2)9-10-24-19(25)13-28-20(24)23-22-12-15-3-6-16(21)7-4-15/h3-8,11-12H,9-10,13H2,1-2H3/b22-12+,23-20+
InChIKey UDJCBRVLRCEDOY-SAMFAILSSA-N
Molecular Weight 401.456 g/mol
SMILES C1S\C(N(C1=O)CCC=1C=C(OC)C(=CC1)OC)=N/N=C/C=1C=CC(=CC1)F