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acetic acid, [[1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl]thio]-, 2-[(E,2E)-3-phenyl-2-propenylidene]hydrazide
SpectraBase Compound ID JpFkzwfmWTH
InChI InChI=1S/C25H21ClN4OS/c26-21-14-12-20(13-15-21)17-30-23-11-5-4-10-22(23)28-25(30)32-18-24(31)29-27-16-6-9-19-7-2-1-3-8-19/h1-16H,17-18H2,(H,29,31)/b9-6+,27-16+
InChIKey PPIKVTRUZYGFIQ-ZAHGHWQKSA-N
Mol Weight 460.98 g/mol
Molecular Formula C25H21ClN4OS
Exact Mass 460.11246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbovhAGbghA
Name Acetic acid, [[1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl]thio]-, 2-[(E,2E)-3-phenyl-2-propenylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.112460185 u
Formula C25H21ClN4OS
InChI InChI=1S/C25H21ClN4OS/c26-21-14-12-20(13-15-21)17-30-23-11-5-4-10-22(23)28-25(30)32-18-24(31)29-27-16-6-9-19-7-2-1-3-8-19/h1-16H,17-18H2,(H,29,31)/b9-6+,27-16+
InChIKey PPIKVTRUZYGFIQ-ZAHGHWQKSA-N
Molecular Weight 460.983 g/mol
SMILES N(\N=C\C=C\C=1C=CC=CC1)C(CSC=1N(C=2C=CC=CC2N1)CC1=CC=C(C=C1)Cl)=O