Carbocyclic phenylaminephosphonate stereochemistry as probed via 13C nmr chemical shifts and nuclear spin couplings from 13C to 31P and 15N

1980 ◽  
Vol 58 (5) ◽  
pp. 530-536 ◽  
Author(s):  
Gerald W. Buchanan ◽  
Frederick G. Morin
Keyword(s):  
Low Temperature ◽  
13C Nmr ◽  
Nuclear Spin ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
Temperature Spectra ◽  
C Nmr

13C nmr chemical shifts and 13C—31P couplings through one, two, and three bonds are reported for eleven carbocyclic phenylaminephosphonates with ring sizes from four to seven. On the basis of these data, inferences regarding preferred conformations are drawn. Low temperature spectra of the 4-methylcyclohexyl derivative show the existence of two conformers, populated in the ratio of approximately 2:1 at 183 K.

The determination of the stereochemistry of epoxides located at the 5,6-positions of decalinic systems: An empirical method based on 13C NMR chemical shifts

2002 ◽  
Vol 80 (7) ◽  
pp. 774-778 ◽  
Author(s):  
Raquel M Cravero ◽  
Guillermo R Labadie ◽  
Manuel González Sierra
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Empirical Method ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
Empirical Rule ◽  
C Nmr

The 13C NMR spectra of a series of 5,6-epoxides in decalinic systems were studied. The interpretation of the chemical shifts allowed us to formulate an empirical rule to predict the epoxide stereochemistry. A discussion of the scope and limitations of this method and its extension to larger carbon skeletons is also presented.Key words: epoxide stereochemistry, 13C NMR, NMR, decalinic systems, oxiranes.

Interpretation of 13C NMR chemical shifts of Hantzsch's pyridines and 1,4-dihydropyridines

1984 ◽  
Vol 49 (10) ◽  
pp. 2393-2399 ◽  
Author(s):  
Antonín Kurfürst ◽  
Petr Trška ◽  
Igor Goljer
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Correlation Equations ◽  
Pyridine Derivatives ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
C Nmr

1H and 13C NMR spectra of twelve 1,4-dihydropyridines I and twelve corresponding pyridine derivatives II have been measured in hexadeuteriodimethyl sulphoxide and interpreted. Correlation equations are given for the chemical shifts of the atoms in the heterocyclic rings of the two series of compounds.

ChemInform Abstract: Comparative Study of 13C NMR Chemical Shifts of Anisoles and Thioanisoles.

ChemInform ◽  
2010 ◽  
Vol 24 (23) ◽  
pp. no-no
Author(s):  
V. BALIAH ◽  
V. PREMASAGAR ◽  
M. UMA ◽  
A. MANGALAMUDAIYAR
Keyword(s):  
Comparative Study ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts

High Cost-Effectiveness Ratio: GIAO-mPW1PW91/6-31 G(d)//PM7 Scaling Factor for 13C NMR Chemical Shifts Calculation

2015 ◽  
Vol 12 (9) ◽  
pp. 2195-2201 ◽  
Author(s):  
Fabio Luiz Paranhos Costa ◽  
Ana Carolina Ferreira de Albuquerque ◽  
Fernando Martins dos Santos Junior ◽  
Mauro Barbosa de Amorim
Keyword(s):  
Cost Effectiveness ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Scaling Factor ◽  
Cost Effectiveness Ratio ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts
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