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2-[(2E)-2-((2E)-2-{2-[(4-fluorobenzyl)oxy]benzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SpectraBase Compound ID 9nJucDx7jJn
InChI InChI=1S/C25H21FN4O3S/c26-19-12-10-17(11-13-19)16-33-21-9-5-4-6-18(21)15-27-30-25-29-24(32)22(34-25)14-23(31)28-20-7-2-1-3-8-20/h1-13,15,22H,14,16H2,(H,28,31)(H,29,30,32)/b27-15+
InChIKey ZRKHNJSBINVBEP-JFLMPSFJSA-N
Mol Weight 476.53 g/mol
Molecular Formula C25H21FN4O3S
Exact Mass 476.13184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1p3Oi42sKys
Name 2-[(2E)-2-((2E)-2-{2-[(4-Fluorobenzyl)oxy]benzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.131839886 u
Formula C25H21FN4O3S
InChI InChI=1S/C25H21FN4O3S/c26-19-12-10-17(11-13-19)16-33-21-9-5-4-6-18(21)15-27-30-25-29-24(32)22(34-25)14-23(31)28-20-7-2-1-3-8-20/h1-13,15,22H,14,16H2,(H,28,31)(H,29,30,32)/b27-15+
InChIKey ZRKHNJSBINVBEP-JFLMPSFJSA-N
Molecular Weight 476.526 g/mol
SMILES N(C(CC1S\C(NC1=O)=N/N=C/C1=C(OCC=2C=CC(=CC2)F)C=CC=C1)=O)C=1C=CC=CC1