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4-pyridinecarboxamide, N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-
SpectraBase Compound ID dFRXSOcPND
InChI InChI=1S/C18H15N3O4S2/c1-2-25-14-9-11(3-4-13(14)22)10-15-17(24)21(18(26)27-15)20-16(23)12-5-7-19-8-6-12/h3-10,22H,2H2,1H3,(H,20,23)/b15-10-
InChIKey IRAUISYOMHSCHK-GDNBJRDFSA-N
Mol Weight 401.46 g/mol
Molecular Formula C18H15N3O4S2
Exact Mass 401.050398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GoJO0LT0gIy
Name 4-Pyridinecarboxamide, N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.050398319 u
Formula C18H15N3O4S2
InChI InChI=1S/C18H15N3O4S2/c1-2-25-14-9-11(3-4-13(14)22)10-15-17(24)21(18(26)27-15)20-16(23)12-5-7-19-8-6-12/h3-10,22H,2H2,1H3,(H,20,23)/b15-10-
InChIKey IRAUISYOMHSCHK-GDNBJRDFSA-N
Molecular Weight 401.455 g/mol
SMILES N(N1C(\C(=C\C=2C=CC(=C(C2)OCC)O)SC1=S)=O)C(=O)C1=CC=NC=C1