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acetic acid, [(1-ethyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-(3-bromo-4-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID L1ZJCyFanCC
InChI InChI=1S/C19H19BrN4O2S/c1-3-24-16-7-5-4-6-15(16)22-19(24)27-12-18(25)23-21-11-13-8-9-17(26-2)14(20)10-13/h4-11H,3,12H2,1-2H3,(H,23,25)/b21-11+
InChIKey KYAUCHAPHIFSTA-SRZZPIQSSA-N
Mol Weight 447.35 g/mol
Molecular Formula C19H19BrN4O2S
Exact Mass 446.04121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzevHGFjX6d
Name Acetic acid, [(1-ethyl-1H-benzimidazol-2-yl)thio]-, 2-[(E)-(3-bromo-4-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.041210040 u
Formula C19H19BrN4O2S
InChI InChI=1S/C19H19BrN4O2S/c1-3-24-16-7-5-4-6-15(16)22-19(24)27-12-18(25)23-21-11-13-8-9-17(26-2)14(20)10-13/h4-11H,3,12H2,1-2H3,(H,23,25)/b21-11+
InChIKey KYAUCHAPHIFSTA-SRZZPIQSSA-N
Molecular Weight 447.351 g/mol
SMILES N(\N=C\C=1C=C(Br)C(=CC1)OC)C(CSC1=NC=2C=CC=CC2N1CC)=O