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3-thiazolidineacetamide, N-(5-chloro-2-hydroxyphenyl)-4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-, (5Z)-
SpectraBase Compound ID I2UyPvkTJg4
InChI InChI=1S/C21H19ClN2O6S2/c1-28-15-6-11(7-16(29-2)19(15)30-3)8-17-20(27)24(21(31)32-17)10-18(26)23-13-9-12(22)4-5-14(13)25/h4-9,25H,10H2,1-3H3,(H,23,26)/b17-8-
InChIKey HWJLPBJFPGOKAC-IUXPMGMMSA-N
Mol Weight 494.96 g/mol
Molecular Formula C21H19ClN2O6S2
Exact Mass 494.037306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ilnNQhzfyW
Name 3-Thiazolidineacetamide, N-(5-chloro-2-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 494.037306382 u
Formula C21H19ClN2O6S2
InChI InChI=1S/C21H19ClN2O6S2/c1-28-15-6-11(7-16(29-2)19(15)30-3)8-17-20(27)24(21(31)32-17)10-18(26)23-13-9-12(22)4-5-14(13)25/h4-9,25H,10H2,1-3H3,(H,23,26)/b17-8-
InChIKey HWJLPBJFPGOKAC-IUXPMGMMSA-N
Molecular Weight 494.964 g/mol
SMILES N(C1=C(C=CC(=C1)Cl)O)C(CN1C(S\C(C1=O)=C\C1=CC(OC)=C(C(=C1)OC)OC)=S)=O