Structure of pyridine and quinoline vinyl ethers according to data from1H and13C NMR spectra and quantum-chemical calculations

1987 ◽  
Vol 36 (2) ◽  
pp. 279-284
Author(s):  
A. V. Afonin ◽  
V. K. Voronov ◽  
M. A. Andriankov ◽  
D. K. Danovich
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Nmr Spectra ◽  
Vinyl Ethers

Study of molecular structure, vibrational, electronic and NMR spectra of oncocalyxone A using DFT and quantum chemical calculations

2013 ◽  
Vol 113 ◽  
pp. 367-377 ◽  
Author(s):  
Bhawani Datt Joshi ◽  
Anubha Srivastava ◽  
Sara Braga Honorato ◽  
Poonam Tandon ◽  
Otília Deusdênia Loiola Pessoa ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Nmr Spectra

Conformational study of blocked pentofuranoses and their 1,5-anhydro derivatives by 1H NMR spectroscopy

1984 ◽  
Vol 49 (1) ◽  
pp. 235-243
Author(s):  
Jaroslav Zajíček ◽  
Miloš Buděšínský ◽  
Jiří Farkaš
Keyword(s):  
Spectral Analysis ◽  
Nmr Spectroscopy ◽  
Quantum Chemical Calculations ◽  
1H Nmr ◽  
Quantum Chemical ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Conformational Study ◽  
H Nmr

Preferred conformations of the furanose ring and conformer population about the C(5)-C(4) bond in a series of benzoylated pentofuranosyl cyanides have been determined from their 1H NMR spectra. For the 1,5-anhydropentofuranose derivatives the results of the 1H NMR spectral analysis have been compared with the quantum chemical calculations.

scholarly journals Nitro and aminobenzimidazoles

2018 ◽  
Vol 11 (2) ◽  
pp. 182-188
Author(s):  
Viktor Milata
Keyword(s):  
Solid State ◽  
Nitro Group ◽  
Quantum Chemical Calculations ◽  
Benzene Ring ◽  
Quantum Chemical ◽  
Nmr Spectra ◽  
Uv Spectra ◽  
Amino Group ◽  
Preparation Methods ◽  
Annular Tautomerism

AbstractA summary of the preparation methods of 2 tautomeric and 4N-methylated benzimidazoles with a nitro group on the benzene ring (1–6) and with an amino group in the same positions (7–12) were summarized. Annular tautomerism of the title compounds1–12has been studied using1H,13C and15N NMR spectra in liquid and solid state (CPMAS), UV spectra and quantum chemical calculations.

Keto-enol tautomerism in β-ketoesters: CH3C(O)CHXC(O)OY (X = H, Cl; Y = CH3, C2H5). Vibrational analyses, NMR spectra and quantum chemical calculations

2001 ◽  
Vol 32 (5) ◽  
pp. 319-329 ◽  
Author(s):  
M. M. Schiavoni ◽  
H. E. Di Loreto ◽  
A. Hermann ◽  
H.-G. Mack ◽  
S. E. Ulic ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Nmr Spectra

Structure of vinyl ethers of a number of azoles according to1H and13C NMR data and quantum-chemical calculations

1990 ◽  
Vol 39 (5) ◽  
pp. 920-925 ◽  
Author(s):  
A. V. Afonin ◽  
B. V. Trzhtsinskaya ◽  
B. N. D. Abramova ◽  
E. V. Apakina ◽  
L. V. Baikalova ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Vinyl Ethers ◽  
Nmr Data
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