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(2E,5Z)-2-[(3-chlorophenyl)imino]-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-1,3-thiazolidin-4-one
SpectraBase Compound ID BY77TW00lee
InChI InChI=1S/C15H12ClN3OS/c1-19-7-3-6-12(19)9-13-14(20)18-15(21-13)17-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,18,20)/b13-9-
InChIKey WYJBJRVTVSTWCN-LCYFTJDESA-N
Mol Weight 317.79 g/mol
Molecular Formula C15H12ClN3OS
Exact Mass 317.038961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 529aJFl9We6
Name (2E,5Z)-2-[(3-Chlorophenyl)imino]-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.038960891 u
Formula C15H12ClN3OS
InChI InChI=1S/C15H12ClN3OS/c1-19-7-3-6-12(19)9-13-14(20)18-15(21-13)17-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,18,20)/b13-9-
InChIKey WYJBJRVTVSTWCN-LCYFTJDESA-N
Molecular Weight 317.794 g/mol
SMILES N1C(\C(S\C1=N/C1=CC(Cl)=CC=C1)=C\C=1N(C=CC1)C)=O