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2-[(5E)-2,4-dioxo-5-(3-phenoxybenzylidene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
SpectraBase Compound ID KIOQfzsN0jB
InChI InChI=1S/C25H20N2O4S/c1-17-10-12-19(13-11-17)26-23(28)16-27-24(29)22(32-25(27)30)15-18-6-5-9-21(14-18)31-20-7-3-2-4-8-20/h2-15H,16H2,1H3,(H,26,28)/b22-15+
InChIKey LKOXXXNPZCEGCB-PXLXIMEGSA-N
Mol Weight 444.51 g/mol
Molecular Formula C25H20N2O4S
Exact Mass 444.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfGU2DBPspm
Name 2-[(5E)-2,4-Dioxo-5-(3-phenoxybenzylidene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.114378302 u
Formula C25H20N2O4S
InChI InChI=1S/C25H20N2O4S/c1-17-10-12-19(13-11-17)26-23(28)16-27-24(29)22(32-25(27)30)15-18-6-5-9-21(14-18)31-20-7-3-2-4-8-20/h2-15H,16H2,1H3,(H,26,28)/b22-15+
InChIKey LKOXXXNPZCEGCB-PXLXIMEGSA-N
Molecular Weight 444.505 g/mol
SMILES N(C(CN1C(S\C(C1=O)=C/C=1C=C(OC2=CC=CC=C2)C=CC1)=O)=O)C=1C=CC(=CC1)C