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The Evolving Landscape of NMR Structural Elucidation [PDF]
MoleculesNuclear Magnetic Resonance (NMR) spectroscopy has long been a cornerstone in the structural elucidation of molecules, offering unique insights into atomic-level connectivity, conformation, and dynamics.
Josep Saurí
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A transformer based generative chemical language AI model for structural elucidation of organic compounds [PDF]
Journal of CheminformaticsFor over half a century, computer-aided structural elucidation systems (CASE) for organic compounds have relied on complex expert systems with explicitly programmed algorithms. These systems are often computationally inefficient for complex compounds due
Xiaofeng Tan
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Total Synthesis and Structural Elucidation of Khafrefungin
, 2016 Total synthesis and structural elucidation of khafrefungin, a novel antifungal agent isolated from the fermentation culture MF6020, have been achieved. Unlike other inhibitors that inhibit the corresponding enzyme in fungi and mammals to the same extent,
Shū Kobayashi (2450098) +2 more
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Functionalized Cytisine Squaramides: Synthesis, Structural Elucidation, and Co-Crystallization [PDF]
MoleculesSynthesis of bifunctional cytisine–squaramide derivatives bearing a single amino acid moiety has revealed an unexpected and intriguing chemical challenge. During modification of cytisine squaramates with α-amino acids, base-sensitive amido esters readily
Anna K. Przybył +3 more
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Structural Elucidation of Hybutimibe
Chinese Journal of Magnetic ResonanceThe structure of hybutimibe was analyzed by ultraviolet absorption spectroscopy, infrared absorption spectroscopy, mass spectrometry, nuclear magnetic resonance (1H NMR, 13C NMR, DEPT, 1H-1H COSY, 1H-1H NOESY, 1H-13C HSQC and 1H-13C HMBC) spectroscopy ...
XU Xiaojie +6 more
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Recent Advances in Mass Spectrometry-Based Structural Elucidation Techniques
Molecules, 2022 Mass spectrometry (MS) has become the central technique that is extensively used for the analysis of molecular structures of unknown compounds in the gas phase.
Xin Ma
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Structure Elucidation and Biosynthesis of Orobanchol [PDF]
Frontiers in Plant Science, 2022 Strigolactones (SLs), a class of phytohormones that regulate diverse developmental processes, were initially characterized as host-derived germination stimulants for seeds belonging to the genera Striga, Orobanche, and Phelipanche. Orobanchol (1), which is detected in the root exudates of several plants and recognized as a prevalent SL, was first ...
Takatoshi Wakabayashi +2 more
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