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4-thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methoxyphenyl)methylene]-2-thioxo-, (5E)-
SpectraBase Compound ID CRbjPLJNUWf
InChI InChI=1S/C21H21NO4S2/c1-24-16-7-4-14(5-8-16)13-19-20(23)22(21(27)28-19)11-10-15-6-9-17(25-2)18(12-15)26-3/h4-9,12-13H,10-11H2,1-3H3/b19-13+
InChIKey ZKIXTHSXXGAIAX-CPNJWEJPSA-N
Mol Weight 415.52 g/mol
Molecular Formula C21H21NO4S2
Exact Mass 415.091201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaYIx71TFby
Name 4-Thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methoxyphenyl)methylene]-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.091200504 u
Formula C21H21NO4S2
InChI InChI=1S/C21H21NO4S2/c1-24-16-7-4-14(5-8-16)13-19-20(23)22(21(27)28-19)11-10-15-6-9-17(25-2)18(12-15)26-3/h4-9,12-13H,10-11H2,1-3H3/b19-13+
InChIKey ZKIXTHSXXGAIAX-CPNJWEJPSA-N
Molecular Weight 415.522 g/mol
SMILES COC=1C=CC(\C=C/2C(N(C(S2)=S)CCC2=CC(OC)=C(C=C2)OC)=O)=CC1