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2-((5E)-5-{4-[(4-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide
SpectraBase Compound ID CFDPMf1QD3C
InChI InChI=1S/C27H24N2O4S/c1-18-3-7-21(8-4-18)17-33-23-13-9-20(10-14-23)15-24-26(31)29(27(32)34-24)16-25(30)28-22-11-5-19(2)6-12-22/h3-15H,16-17H2,1-2H3,(H,28,30)/b24-15+
InChIKey MVHPAEIAAVHJNN-BUVRLJJBSA-N
Mol Weight 472.56 g/mol
Molecular Formula C27H24N2O4S
Exact Mass 472.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Brx94ImftaW
Name 2-((5E)-5-{4-[(4-Methylbenzyl)oxy]benzylidene}-2,4-dioxo-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 472.145678431 u
Formula C27H24N2O4S
InChI InChI=1S/C27H24N2O4S/c1-18-3-7-21(8-4-18)17-33-23-13-9-20(10-14-23)15-24-26(31)29(27(32)34-24)16-25(30)28-22-11-5-19(2)6-12-22/h3-15H,16-17H2,1-2H3,(H,28,30)/b24-15+
InChIKey MVHPAEIAAVHJNN-BUVRLJJBSA-N
Molecular Weight 472.559 g/mol
SMILES N(C(CN1C(S\C(C1=O)=C/C1=CC=C(OCC2=CC=C(C=C2)C)C=C1)=O)=O)C=1C=CC(=CC1)C