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3-thiazolidineacetamide, N-(4-hydroxyphenyl)-4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-, (5Z)-
SpectraBase Compound ID K8oAvL67fkh
InChI InChI=1S/C21H20N2O6S2/c1-27-15-8-12(9-16(28-2)19(15)29-3)10-17-20(26)23(21(30)31-17)11-18(25)22-13-4-6-14(24)7-5-13/h4-10,24H,11H2,1-3H3,(H,22,25)/b17-10-
InChIKey DBOFRGFJLJOQHT-YVLHZVERSA-N
Mol Weight 460.52 g/mol
Molecular Formula C21H20N2O6S2
Exact Mass 460.076279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Azdov4RWgC
Name 3-Thiazolidineacetamide, N-(4-hydroxyphenyl)-4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.076278714 u
Formula C21H20N2O6S2
InChI InChI=1S/C21H20N2O6S2/c1-27-15-8-12(9-16(28-2)19(15)29-3)10-17-20(26)23(21(30)31-17)11-18(25)22-13-4-6-14(24)7-5-13/h4-10,24H,11H2,1-3H3,(H,22,25)/b17-10-
InChIKey DBOFRGFJLJOQHT-YVLHZVERSA-N
Molecular Weight 460.519 g/mol
SMILES N(C(CN1C(S\C(C1=O)=C\C=1C=C(OC)C(=C(C1)OC)OC)=S)=O)C1=CC=C(C=C1)O