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3-thiazolidineacetamide, 4-oxo-N-(2-phenylethyl)-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-, (5E)-
SpectraBase Compound ID LkAiWLgLZsP
InChI InChI=1S/C23H24N2O5S2/c1-28-17-11-16(12-18(29-2)21(17)30-3)13-19-22(27)25(23(31)32-19)14-20(26)24-10-9-15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,26)/b19-13+
InChIKey ZOZCSCYGFRFGCT-CPNJWEJPSA-N
Mol Weight 472.57 g/mol
Molecular Formula C23H24N2O5S2
Exact Mass 472.112664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GenPotOOmG
Name 3-Thiazolidineacetamide, 4-oxo-N-(2-phenylethyl)-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.112664224 u
Formula C23H24N2O5S2
InChI InChI=1S/C23H24N2O5S2/c1-28-17-11-16(12-18(29-2)21(17)30-3)13-19-22(27)25(23(31)32-19)14-20(26)24-10-9-15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,26)/b19-13+
InChIKey ZOZCSCYGFRFGCT-CPNJWEJPSA-N
Molecular Weight 472.574 g/mol
SMILES N(C(CN1C(S\C(C1=O)=C/C1=CC(OC)=C(C(=C1)OC)OC)=S)=O)CCC1=CC=CC=C1