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• W1999736808 abstract "The synthesis and structural properties of novel compounds, 5-Benzyl- 4-[3-(1H-imidazol-1-yl)propyl]-2H-1,2,4-triazol-3(4H)-ones (3a–c) have been described. These products were obtained by the reaction of ethyl 2-[1-ethoxy-2-(phenyl or substituted phenyl)ethylidene]hydrazinecarboxylates (1) and N-(3-aminopropyl)imidazol (2). The structures of compounds 3a–c have been inferred through UV–vis, IR, 1H/13C NMR, mass spectrometry, elemental analyses, and X-ray crystallography. DFT level 6-31G∗(d,p) calculations provided structural information and IR data that were in good agreement with experimental results for compound 3a. Additionally, the electronic structure of compound 3a has been studied by DFT level 6-31G∗(d,p) calculations using the X-ray data." @default.
• W1999736808 created "2016-06-24" @default.
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• W1999736808 date "2009-11-01" @default.
• W1999736808 modified "2023-10-16" @default.
• W1999736808 title "5-Benzyl-4-[3-(1H-imidazol-1-yl)propyl]- 2H-1,2,4-triazol-3(4H)-ones: Synthesis, spectroscopic characterization, crystal structure and a comparison of theoretical and experimental IR results by DFT calculations" @default.
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• W1999736808 doi "https://doi.org/10.1016/j.molstruc.2009.07.045" @default.
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