scholarly journals Automated Determination of Nuclear Magnetic Resonance Chemical Shift Perturbations in Ligand Screening Experiments: The PICASSO Web Server

2021 ◽  
Author(s):  
Vincenzo Laveglia ◽  
Andrea Giachetti ◽  
Linda Cerofolini ◽  
Kevin Haubrich ◽  
Marco Fragai ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Web Server ◽  
Screening Experiments ◽  
Ligand Screening ◽  
Automated Determination ◽  
Nuclear Magnetic

Determination of for aliphatic ketones from nuclear magnetic resonance chemical shift data

1970 ◽  
Vol 48 (12) ◽  
pp. 1919-1923 ◽  
Author(s):  
Donald G. Lee
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Raman Spectroscopy ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Aliphatic Ketones ◽  
Chemical Shift Data ◽  
Shift Data ◽  
Good Agreement ◽  
Nuclear Magnetic

The [Formula: see text] values for 3-pentanone, 2-butanone, and 3-methyl-2-butanone have been determined from chemical shift data. The values (−7.6, −7.1, and −7.2, respectively) are in good agreement with those previously determined for aliphatic ketones by use of ultraviolet–visible and Raman spectroscopy.

DETERMINATION OF α OR β SUBSTITUTION OF THE INDOLE NUCLEUS BY NUCLEAR MAGNETIC RESONANCE

1963 ◽  
Vol 41 (8) ◽  
pp. 2067-2073 ◽  
Author(s):  
R. V. Jardine ◽  
R. K. Brown
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Solvent Effect ◽  
Polar Solvents ◽  
Nuclear Magnetic

Marked differences in chemical shift of the signal for the α proton in indole and substituted indoles occur when spectra are obtained in non-polar and polar solvents. In contrast, using polar and non-polar solvents, only small differences are observed in the chemical shift of the signal for the β proton in indoles. The utility of the solvent effect on the chemical shift to distinguish between α and β substitution of the indole nucleus is pointed out.

Sign in / Sign up

Export Citation Format

Share Document