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2-methoxy-4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methoxybenzenesulfonate
SpectraBase Compound ID Gmvvq1h833q
InChI InChI=1S/C18H15NO6S3/c1-23-12-4-6-13(7-5-12)28(21,22)25-14-8-3-11(9-15(14)24-2)10-16-17(20)19-18(26)27-16/h3-10H,1-2H3,(H,19,20,26)/b16-10-
InChIKey UDNZZVOMNOFAML-YBEGLDIGSA-N
Mol Weight 437.5 g/mol
Molecular Formula C18H15NO6S3
Exact Mass 437.006151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VuV8W5BF5D
Name 2-Methoxy-4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methoxybenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.006150723 u
Formula C18H15NO6S3
InChI InChI=1S/C18H15NO6S3/c1-23-12-4-6-13(7-5-12)28(21,22)25-14-8-3-11(9-15(14)24-2)10-16-17(20)19-18(26)27-16/h3-10H,1-2H3,(H,19,20,26)/b16-10-
InChIKey UDNZZVOMNOFAML-YBEGLDIGSA-N
Molecular Weight 437.499 g/mol
SMILES N1C(S\C(C1=O)=C\C1=CC=C(OS(C2=CC=C(C=C2)OC)(=O)=O)C(=C1)OC)=S