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acetic acid, [(1-ethyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-(2,4-dichlorophenyl)methylidene]hydrazide
SpectraBase Compound ID EDdkM2RYUTm
InChI InChI=1S/C18H16Cl2N4OS/c1-2-24-16-6-4-3-5-15(16)22-18(24)26-11-17(25)23-21-10-12-7-8-13(19)9-14(12)20/h3-10H,2,11H2,1H3,(H,23,25)/b21-10+
InChIKey XWWNHZOILWFTHC-UFFVCSGVSA-N
Mol Weight 407.32 g/mol
Molecular Formula C18H16Cl2N4OS
Exact Mass 406.042188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2vx9dAg05r
Name Acetic acid, [(1-ethyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-(2,4-dichlorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 406.042187724 u
Formula C18H16Cl2N4OS
InChI InChI=1S/C18H16Cl2N4OS/c1-2-24-16-6-4-3-5-15(16)22-18(24)26-11-17(25)23-21-10-12-7-8-13(19)9-14(12)20/h3-10H,2,11H2,1H3,(H,23,25)/b21-10+
InChIKey XWWNHZOILWFTHC-UFFVCSGVSA-N
Molecular Weight 407.319 g/mol
SMILES N(\N=C\C=1C(=CC(=CC1)Cl)Cl)C(CSC1=NC=2C=CC=CC2N1CC)=O