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acetic acid, [(1-ethyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-(2-bromophenyl)methylidene]hydrazide
SpectraBase Compound ID BnLiYbZJesV
InChI InChI=1S/C18H17BrN4OS/c1-2-23-16-10-6-5-9-15(16)21-18(23)25-12-17(24)22-20-11-13-7-3-4-8-14(13)19/h3-11H,2,12H2,1H3,(H,22,24)/b20-11+
InChIKey UYQBVVHQWYKTNW-RGVLZGJSSA-N
Mol Weight 417.33 g/mol
Molecular Formula C18H17BrN4OS
Exact Mass 416.030645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iz0WrLStj2t
Name Acetic acid, [(1-ethyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-(2-bromophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 416.030645356 u
Formula C18H17BrN4OS
InChI InChI=1S/C18H17BrN4OS/c1-2-23-16-10-6-5-9-15(16)21-18(23)25-12-17(24)22-20-11-13-7-3-4-8-14(13)19/h3-11H,2,12H2,1H3,(H,22,24)/b20-11+
InChIKey UYQBVVHQWYKTNW-RGVLZGJSSA-N
Molecular Weight 417.325 g/mol
SMILES N(\N=C\C=1C(Br)=CC=CC1)C(CSC1=NC=2C=CC=CC2N1CC)=O