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.

Nuclear magnetic resonance spectra, stereochemistry, and conformation of flavan derivatives

1964 ◽  
Vol 17 (6) ◽  
pp. 632 ◽  
Author(s):  
JW Clark-Lewis ◽  
LM Jackman ◽  
TM Spotswood
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Heterocyclic Ring ◽  
Coupling Constant ◽  
Nuclear Magnetic Resonance Spectra ◽  
Chemical Shift Data ◽  
Shift Data ◽  
Magnetic Resonance Spectra ◽  
Nuclear Magnetic

Chemical-shift and coupling-constant data for protons in 68 flavan derivatives are reported. Coupling-constant data for interactions involving the 2-, 3-, and 4-protons have been used to define the configuration of the 2-, 3-, and 4-substituents and the conformation of the heterocyclic ring. It is shown that chemical-shift data for protons of the heterocyclic ring and of 3- and 4-acetoxyl groups are of little value in stereochemical studies. Analysis of the absorptions of the aromatic protons shows that N.M.R. is useful for determining the oxygenation pattern in rings A and B.

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.

17O nuclear magnetic resonance spectroscopic study of substituted phthalic anhydrides and phthalides

1987 ◽  
Vol 65 (6) ◽  
pp. 1214-1217 ◽  
Author(s):  
David W. Boykin ◽  
Alfons L. Baumstark ◽  
Margaret M. Kayser ◽  
Chantal M. Soucy
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Chemical Shifts ◽  
Carbonyl Groups ◽  
Chemical Shift Data ◽  
The Relationship ◽  
Electronic Character ◽  
Shift Data ◽  
Phthalic Anhydrides

17O chemical shift data (natural abundance) for 3-substituted phthalic anhydrides and 4- and 7-substituted phthalides in acetonitrile at 75 °C are reported. Steric interactions of substituents ortho to the carbonyl groups result in deshielding effects (9–22 ppm) relative to parent compounds regardless of the electronic character of the substituents. Factors contributing to the deshielding effects are discussed. The relationship between 17O chemical shifts and regiochemistry of the phthalic anhydrides is discussed.

NUCLEAR MAGNETIC RESONANCE SPECTRA AND CONDUCTIVITIES OF SOME METAL ACETYLACETONATES

1965 ◽  
Vol 43 (9) ◽  
pp. 2559-2565 ◽  
Author(s):  
A. J. Carty ◽  
D. G. Tuck ◽  
E. Bullock
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Spectroscopic Studies ◽  
Metal Acetylacetonates ◽  
Group Iii ◽  
Nuclear Magnetic Resonance Spectra ◽  
Chemical Shift Data ◽  
Shift Data ◽  
Magnetic Resonance Spectra ◽  
Nuclear Magnetic

Chemical shift data and conductivities of acetylacetonates of some group IA, IIA, and IIIA metals in dimethylsulfoxide are recorded. It is concluded that nuclear magnetic resonance spectra cannot give definite information on π-bonding in these complexes, though the results for the group III elements are consistent with the presence of such bonds, as is the evidence from related spectroscopic studies.

IR and NMR Correlations for 3-x and 4-x Substituted Anilines

1993 ◽  
Vol 47 (4) ◽  
pp. 411-422 ◽  
Author(s):  
R. A. Nyquist
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Carbon Tetrachloride ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Vapor Phase ◽  
Reference Frequency ◽  
Substituted Anilines ◽  
Nmr Chemical Shift ◽  
Chemical Shift Data ◽  
Shift Data

Infrared (IR) and/or Nuclear Magnetic Resonance (NMR) carbon-13 data are presented for 3- x and 4- x substituted anilines. Correlations are presented for the δ13C-1 chemical shift vs. Hammett δ p and δ m values, vasym., NH2 vs. δ13C-1, vsym. NH2 vs. δ13C-1, δ13C-1 vs. vasym. NH2, δ13C-1 vs. the absorbance ratio A( vasym. NH2/ A( vsym. NH2), and δ13C-l vs. Taft δ R°. The IR data for these compounds are recorded in the vapor phase, and in hexane, carbon tetrachloride, and chloroform solutions. The NMR chemical shift data for these compounds in solution with chloroform were obtained with the use of tetramethylsilane as the δ13C resonance reference frequency.

Carbon-13 Nuclear Magnetic Resonance Spectra of Isothiazole, 1,2-Dithiole, and 1,3-Dithiole Derivatives

1975 ◽  
Vol 53 (6) ◽  
pp. 836-844 ◽  
Author(s):  
N. Plavac ◽  
I. W. J. Still ◽  
M. S. Chauhan ◽  
D. M. McKinnon
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Carbonyl Compounds ◽  
Heterocyclic Compounds ◽  
Chemical Shifts ◽  
Conjugated Systems ◽  
Nuclear Magnetic Resonance Spectra ◽  
Chemical Shift Data ◽  
Shift Data

Carbon-13 chemical shift data have been obtained for a number of isothiazole, benzo[c]isothiazole, 1,2-dithiole, and 1,3-dithiole derivatives. A number of these compounds are thiones and the chemical shifts of the C=S carbons are discussed in the light of recent attempts to predict such chemical shifts from those of the analogous carbonyl compounds. Comparisons of substituent chemical shift (s.c.s.) effects in these heterocyclic compounds with those in simpler aromatic or conjugated systems have been made and additivity correlations tested in a number of cases.

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