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acetic acid, [[1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(3-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID IQjNQTC7W1s
InChI InChI=1S/C23H19ClN4O2S/c24-18-10-8-16(9-11-18)14-28-21-7-2-1-6-20(21)26-23(28)31-15-22(30)27-25-13-17-4-3-5-19(29)12-17/h1-13,29H,14-15H2,(H,27,30)/b25-13+
InChIKey KHLCSVKGWYHNSY-DHRITJCHSA-N
Mol Weight 450.94 g/mol
Molecular Formula C23H19ClN4O2S
Exact Mass 450.091725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7x8SY1Fg7Pe
Name Acetic acid, [[1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(3-hydroxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 450.091724740 u
Formula C23H19ClN4O2S
InChI InChI=1S/C23H19ClN4O2S/c24-18-10-8-16(9-11-18)14-28-21-7-2-1-6-20(21)26-23(28)31-15-22(30)27-25-13-17-4-3-5-19(29)12-17/h1-13,29H,14-15H2,(H,27,30)/b25-13+
InChIKey KHLCSVKGWYHNSY-DHRITJCHSA-N
Molecular Weight 450.944 g/mol
SMILES N(\N=C\C=1C=C(C=CC1)O)C(CSC=1N(C=2C=CC=CC2N1)CC1=CC=C(C=C1)Cl)=O