An evaluation parameter for organic maturation. 1H-NMR T1.

The prediction of 1H NMR chemical shifts in organic compounds

www.spectroscopyeurope.com Introduction and historical Proton (H) nuclear magnetic resonance, NMR, spectroscopy began in 1951 with the historic experiment of Arnold, Dharmatti and Packard, when they resolved the three types of hydrogen atoms in ethanol, and this illustrated the immense potential of H NMR in structural organic chemistry. Since this discovery H NMR has become one of the commonest...

Evaluation of a 1H-13C NMR Spectral Library

A simple database of (13)C/(1)H-(13)C spectral lists for 11 673 natural products was created in standard commercial database format. Over 50% of the spectra were predicted using HOSE code descriptors derived from the 50% of spectra having experimental values. Prediction errors obtained by prediction of and comparison to the experimental spectra revealed an exponentially decaying dependence betw...

Rates of Acid-Catalyzed NH Proton Exchange of Enaminones, an 1H NMR Study

: 1H NMR spectra of a series of enaminones R-CO-CH=C(NHCH2Ph)-R  [1, R=CH3; 2, R=C6H5; 3, R=CF3; 4, R=CH2CH2CH2; 5, R=CH2C(CH3)2CH2], were obtained in the presence of trifluoroacetic acid in CDCl3 or DMSO-d6 at 28 °C. S...

1H-NMR, 1H-NMR T2-edited, and 2D-NMR in bipolar disorder metabolic profiling

BACKGROUND The objective of this study was to identify molecular alterations in the human blood serum related to bipolar disorder, using nuclear magnetic resonance (NMR) spectroscopy and chemometrics. METHODS Metabolomic profiling, employing 1H-NMR, 1H-NMR T2-edited, and 2D-NMR spectroscopy and chemometrics of human blood serum samples from patients with bipolar disorder (n = 26) compared wit...

1H-NMR relaxation measurements in the organic conductors : (TMTTF)2Br and (TMTTF)2PF6