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4-thiazolidinone, 5-[[3-ethoxy-4-[2-[2-(2-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-2-thioxo-, (5E)-
SpectraBase Compound ID 7EVO0AWkDMn
InChI InChI=1S/C23H25NO5S2/c1-3-27-20-14-17(15-21-22(25)24-23(30)31-21)8-9-19(20)29-13-11-26-10-12-28-18-7-5-4-6-16(18)2/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25,30)/b21-15+
InChIKey DBNVANXKPFVYAR-RCCKNPSSSA-N
Mol Weight 459.58 g/mol
Molecular Formula C23H25NO5S2
Exact Mass 459.117415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfKbJwygySq
Name 4-Thiazolidinone, 5-[[3-ethoxy-4-[2-[2-(2-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.117415252 u
Formula C23H25NO5S2
InChI InChI=1S/C23H25NO5S2/c1-3-27-20-14-17(15-21-22(25)24-23(30)31-21)8-9-19(20)29-13-11-26-10-12-28-18-7-5-4-6-16(18)2/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25,30)/b21-15+
InChIKey DBNVANXKPFVYAR-RCCKNPSSSA-N
Molecular Weight 459.575 g/mol
SMILES N1C(\C(SC1=S)=C/C=1C=C(OCC)C(=CC1)OCCOCCOC1=C(C)C=CC=C1)=O