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acetic acid, [[1-[(4-methylphenyl)methyl]-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[1-[(4-methylphenyl)methyl]-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID E6OSfNEXXrT
InChI InChI=1S/C24H20ClFN4OS/c1-16-9-11-17(12-10-16)14-30-22-8-3-2-7-21(22)28-24(30)32-15-23(31)29-27-13-18-19(25)5-4-6-20(18)26/h2-13H,14-15H2,1H3,(H,29,31)/b27-13+
InChIKey QLRHQSFHEJVRRT-UVHMKAGCSA-N
Mol Weight 466.96 g/mol
Molecular Formula C24H20ClFN4OS
Exact Mass 466.103038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10KCgWqfqax
Name Acetic acid, [[1-[(4-methylphenyl)methyl]-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.103038316 u
Formula C24H20ClFN4OS
InChI InChI=1S/C24H20ClFN4OS/c1-16-9-11-17(12-10-16)14-30-22-8-3-2-7-21(22)28-24(30)32-15-23(31)29-27-13-18-19(25)5-4-6-20(18)26/h2-13H,14-15H2,1H3,(H,29,31)/b27-13+
InChIKey QLRHQSFHEJVRRT-UVHMKAGCSA-N
Molecular Weight 466.962 g/mol
SMILES N(\N=C\C=1C(Cl)=CC=CC1F)C(CSC=1N(C=2C=CC=CC2N1)CC=1C=CC(=CC1)C)=O