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acetic acid, [(1-methyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-1-(4-fluorophenyl)ethylidene]hydrazide
SpectraBase Compound ID AukQHMJDc69
InChI InChI=1S/C18H17FN4OS/c1-12(13-7-9-14(19)10-8-13)21-22-17(24)11-25-18-20-15-5-3-4-6-16(15)23(18)2/h3-10H,11H2,1-2H3,(H,22,24)/b21-12+
InChIKey MOGDIQFIUSZECV-CIAFOILYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C18H17FN4OS
Exact Mass 356.110711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuIi8qXrWpI
Name Acetic acid, [(1-methyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-1-(4-fluorophenyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 356.110710519 u
Formula C18H17FN4OS
InChI InChI=1S/C18H17FN4OS/c1-12(13-7-9-14(19)10-8-13)21-22-17(24)11-25-18-20-15-5-3-4-6-16(15)23(18)2/h3-10H,11H2,1-2H3,(H,22,24)/b21-12+
InChIKey MOGDIQFIUSZECV-CIAFOILYSA-N
Molecular Weight 356.419 g/mol
SMILES N(\N=C\(C1=CC=C(C=C1)F)C)C(CSC1=NC=2C=CC=CC2N1C)=O