a simple and green synthesis of α-hydroxy phosphonates has been performed by reaction between aldehydes and triethyl phosphite using sodium dodecylphosphonate as anionic surfactant in micellar media under reflux conditions. the novel structures were recognized by 1h nmr, 13c nmr and 31p-nmr. the employ of green media, clean reaction profiles, simple experimental and work up procedures and high ...

The title compounds, rabdosinate and rabdosin B, were isolated from the leaves of Isodon japonica, and characterized by IR-NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge including atomic orbital (GIAO-13C) chemical shift values of the title compounds have been calculated by using DFT/B3LYP method with 6-311++G(d,p) basis set. In addition, obtained results were relat...

Proton-detected 1H-13C heteronuclear correlated spectroscopy [( 1H,13C]-COSY) was used to establish relations between the carbon-13 and proton nuclear magnetic resonance chemical shifts in the hexadeoxynucleoside pentaphosphate d-(GCATGC)2. Using the previously established sequence-specific proton NMR assignments, sequence-specific assignments were thus obtained for nearly all proton-bearing ca...

in this research an effective and appropriate method has been developed for one-pot synthesis of new n-phenyl fulleroisoxazoline using fe3o4@sio2 nanoparticles as a green magnetically recyclable catalyst. the prepared catalytic samples were characterized by xrd, sem, ft-ir and vsm. the products have been characterized by physical and spectroscopic data such as ir, 1h nmr, 13c nmr, and ms analyses.

In this investigation, the structural, electronic properties, 13C and 1H NMR parameters and firsthyperpolarizability of Z-Ligustilide were explored. As well, the solvent effect on structural parameters, frontier orbital energies, electronic transitions, and 13C and 1H NMR parameters was illustrated based on Polarizable Continuum Model (PCM).These consequences specify that the polarity of solven...

Assignment of the fifteen carbons of terrecyclic acid A, C15H20O3, a new sesquiterpene antibiotic, in the 13C NMR spectrum was performed by 13C-[1H] selective proton decoupling experiments, comparison with spectra of its derivatives and chemical shifts.

The structure of a novel antibiotic, epiderstatin, was determined as 4-[3-((Z)-3,5-dimethyl-2-oxopiperidin-6-ylidene)-2-oxopropyl]-2, 6-piperidinedione by spectroscopic analyses of 1H NMR, 13C NMR, 1H-1H correlation spectroscopy (COSY), 13C-1H COSY, heteronuclear multiple bond correlation spectroscopy, UV and IR spectra. The antibiotic belongs to the glutarimide antibiotics, however, the charac...

A series of oxonium and carboxonium ions and their corresponding protonated dications were investigated by ab initio/IGLO/GIAO-MP2 methods. The calculated 17O and 13C NMR chemical shifts were compared with the solution phase experimental data for the monocations. The structures and energies of a number of oxonium and carboxonium dications and the effect of diprotonation on the 17O and 13C NMR c...

Instrumentation: NMR spectra were recorded on Bruker Advance 400 (400.14 MHz for 1H and 100.62 MHz for 13C), Bruker Advance III plus 400 (400.34 MHz for 1H and 100.67 MHz for 13C), and Bruker Advance III 600 (600.13 MHz for 1H and 150.90 MHz for 13C) NMR spectrometers. All the collected spectra were referenced on residual solvent signal according to Nudelman and coworkers.[1] Mass spectra were ...

Cross-polarization (CP) magic angle spinning (MAS) 13C NMR spectroscopy has become a routine tool in pharmacy, employed to identify and characterize drugs in the solid phase. 13C CPMAS NMR spectra were recorded for solid hydrocortisone 21-hemisuccinate and suxamethonium chloride. White crystalline substances, such as these two drugs, can be easily distinguished; and solid-state 13NMR spectra of...