Proton nuclear magnetic resonance data

Table I. Proton Nuclear Magnetic Resonance Data...

Molecular weight measurements indicate the molecular formula P4Ns(CH3)6. Proton nuclear magnetic resonance data support a cage structure analogous to that of phos-phorus(III) oxide, P4O6. 

Van Lierop and co-workers in 1998 produced a handbook [8] on their infrared (IR) spectroscopic, mass spectrometric, gas chromatographic, proton nuclear magnetic resonance data also physicochemical data. 

Proton nuclear magnetic resonance (NMR) data for pyrimidines was reviewed in CHEC(1984) together with C and NMR data, and NMR data for quinazoline and perimidines was discussed in CHEC-11(1996). A tabulation of H, N, and N NMR data for simple pyrimidines is available in the book by Brown <1994HC(52)1>. N... 

Proton nuclear magnetic resonance (NMR) data of parent A,B-diheteropentalenes have been reviewed <1984CHEC(4)1037, 1984CHEC(6)1027, 1996CHEC-II(7)1>. 

Use of an integrated system incorporating CCC separation, PDA detector, and LC-MS proved to be a valuable tool in the rapid identification of known compounds from microbial extracts.6 This collection of analytical data has enabled us to make exploratory use of advanced data analysis methods to enhance the identification process. For example, from the UV absorbance maxima and molecular weight for the active compound(s) present in a fraction, a list of potential structural matches from a natural products database (e.g., Berdy Bioactive Natural Products Database, Dictionary of Natural Products by Chapman and Hall, etc.) can be generated. Subsequently, the identity of metabolite(s) was ascertained by acquiring a proton nuclear magnetic resonance ( H-NMR) spectrum. 

The simulated distillation data (Table V and Figures 2, 4, 6) and the FIA analyses of the distillates (Table II) were obtained by standard ASTM methods D2887 and D1319, respectively. The mass spectrometric analyses (MS) of the saturates fractions (Table VI) were obtained by an in-house method similar to that of Hood and O Neal (44). The aromatic fractions were analyzed by the proton nuclear magnetic resonance (NMR) method of Clutter et al. (45), and the results are reported in Tables VII and VIII. 

Gartland KP, Beddell CR, Lindon JC, Nicholson JK. Application of pattern recognition methods to the analysis and classification of toxicological data derived from proton nuclear magnetic resonance spectroscopy of urine. Mol Pharmacol 1991 39 629 642. 

Table 6.2 Copolymer composition Xt versus monomer feed composition x° of bulk radical copolymerization of glycidyl methacrylate M, and styrene M2 (T = 60 °C, p < 0.1). In three columns the experimental data obtained [217] by means of chemical analysis of epoxy group content (EA), Infra Red (IR) and Proton Nuclear Magnetic Resonance (NMR) spectra are presented...

F nuclear magnetic resonance data there are two fluorine environments, a low-field doublet and a high-field triplet, each component being further split into a septuplet because of coupling between F and the methyl protons. The doublet is due to apical F atoms /p.f = 772 c.p.s. 5 = — 74p.p.m. (from an external trifluoroacetic acid reference). (Checkers find 776 and —74.3, respectively.) The high-field triplet is due to the equatorial F atoms Jp.f = 960 c.p.s. 5 = 4-9.8 p.p.m. (from an external trifluoroacetic acid reference). (The checkers find 960 and 4-9.8, respectively.)... 

F nuclear magnetic resonance data there is basically one resonance, split into a doublet Jp. = 585 c.p.s. S (from external trifluoroacetic acid reference) = — 44 p.p.m. (The checkers report 579 and —44.2, respectively.) Further splitting is due to coupling between fluorine atoms and protons of the alkyl groups. 

Anthony, M.L. Sweatman, B.C. Beddell, C.R. Lindon, J.C. Nicholson, J.K. Pattern Recognition Classification of the Site of Nephrotoxicity Based on Metabolic Data Derived from High Resolution Proton Nuclear Magnetic Resonance Spectra of Urine, Mol. Pharmacol. 46, 199-211 (1994). 

Anthony ML, Sweatman BC, Beddell CR, Lindoon JC, Nicholson JK Pattern recognition classification of the site of nephrotoxicity based on metabolic data from proton nuclear magnetic resonance spectra of urine. Mol Pharmacol 1994 46 199-211. 

Nuclear magnetic resonance data on cyclohexane are reproduced together with heat capacity information in Fig. 3.2. The transition parameters are listed in Table 3.1. Below 150 K the experimental proton NMR second moment of 26.0 + 0.5 G corresponds to that calculated for a crystal of rigid molecules of Djj dymmetry in the chair conformation. The decrease in secoixi moment from 155 to 180 K is caused by jump-reorientation about the triad axis with a 46 kJ/mol activation energy. The experimental second moment somewhat below T of 6.4 G corresponds to the calculated value of 6.1 l.OG for such motion. At the transition the ond moment drops to 1.4 G which is in line with additional reorientation about aU other axes (1.3 to 1.1 G calculated for different assumptions). Above 240 K,... 

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