Results 1 to 10 of about 66,832 (166)
Effects of Halogen, Chalcogen, Pnicogen, and Tetrel Bonds on IR and NMR Spectra [PDF]
Molecules, 2019 Complexes were formed pairing FX, FHY, FH2Z, and FH3T (X = Cl, Br, I; Y = S, Se, Te; Z = P, As, Sb; T = Si, Ge, Sn) with NH3 in order to form an A⋯N noncovalent bond, where A refers to the central atom.
Jia Lu, Steve Scheiner
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IR-NMR multimodal computational spectra dataset for 177K patent-extracted organic molecules
Scientific DataThe construction of predictive models in molecular science increasingly relies on large, high-quality datasets. Synthetic data generation is becoming a foundational strategy for advancing model accuracy and enabling fast discovery workflows.
Federico Zipoli +2 more
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Spectroscopic Studies of Delafloxacin Meglumine
Chinese Journal of Magnetic Resonance, 2021 The structure of delafloxacin meglumine was analyzed by infrared absorption (IR), ultraviolet absorption (UV), nuclear magnetic resonance (1H NMR, 13C NMR, DEPT, 1H-1H COSY, 1H-13C HSQC and 1H-13C HMBC) spectroscopy, mass spectrometry and elemental ...
Xin-yi ZHAO +4 more
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2-[Difluoro(phenylselenyl)methyl]benzo-1,3-thiazole
Molbank, 2022 This short note elaborates a concise protocol for the synthesis of 2-[difluoro(phenylselenyl)methyl]benzo-1,3-thiazole in two steps from the commercially available reagent 2-aminobenzenethiol.
Rongfu Xu +3 more
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Spectral Analyses and Structural Elucidation of Cyflumetofen
Chinese Journal of Magnetic Resonance, 2020 Cyflumetofen is a new type of acaricide with high efficiency and low residue. In this work, the compound was characterized by infrared absorption (IR), ultraviolet absorption (UV) and mass spectrometry, as well as nuclear magnetic resonance spectroscopy (
ZHANG Yi-ming +2 more
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Open Chemistry, 2022 The article compares the experimental Fourier transform-infrared, Ultraviolet-visible (UV-vis), and proton nuclear magnetic resonance (1H NMR) spectra of voriconazole and fluconazole with the density functional theory (DFT) calculations using five ...
Drabińska Beata +6 more
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Spectral Analysis and Structural Elucidation of Besifloxacin Hydrochloride
Chinese Journal of Magnetic Resonance, 2018 The ultraviolet spectra (UV), infrared spectra (IR), mass spectra (MS) and nuclear magnetic resonance (NMR) spectra (i.e., 1H NMR, 13C NMR, DEPT, HSQC, HMBC, COSY and NOESY) of besifloxacin hydrochloride were acquired and interpreted.
ZHANG Ming-guang +4 more
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Nuclear magnetic resonance and infrared spectra of Δ24- and C-24 saturated steroids
Journal of Lipid Research, 1968 The infrared (IR) and nuclear magnetic resonance (NMR) spectra of eight Δ24-steroids and nine C-24 saturated steroids were examined. NMR spectra allow unambiguous assignment of the biologically important Δ24-bond; introduction of a Δ24-bond causes the ...
Terence J. Scallen, William Krueger
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Synthesis and Characterization of Novel1,3,4,9a-Tetrahydrobenzo[e][1,3]oxazepin-5(5aH)-one Derivativesvia Cycloaddition Reactions ofSchiff Bases [PDF]
مجلة جامعة الانبار للعلوم الصرفة, 2016 A series of novel1,3,4,9a-tetrahydrobenzo[e][1,3]oxazepin-5(5aH)-one derivatives were synthesized by the reaction of Schiff bases with bicyclo]2.2.2[oct.7-ene-2,3,5,6-tetracarboxylic anhydridein anhydrous acetonitrile under dry and reflux conditionswith ...
Obaid H. Abid +2 more
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Spectral Analyses of a Novel Ibuprofen-Phillygenin Ester
Chinese Journal of Magnetic Resonance, 2018 An ibuprofen-phillygenin ester was synthesized through the Schotten-Baumann reaction with ibuprofen and phillygenin as the starting materials. Ultraviolet absorption (UV) spectrum, infrared absorption (IR) spectrum, matrix-assisted laser desorption ...
FAN Hong-yu
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