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Nuclear magnetic resonance peak assignments

Arata, Y., Shimizu, A., Matsuo, H. (1978) Deuterium-labeling method for assignment of histidine nuclear magnetic-resonance peaks of proteins. Journal of the American Chemical Society, 100 (10), 3230-3232. [Pg.183]

Nuclear Magnetic Resonance Spectroscopy. Bmker s database, designed for use with its spectrophotometers, contains 20,000 C-nmr and H-nmr, as weU as a combined nmr-ms database (66). Sadder Laboratories markets a PC-based system that can search its coUection of 30,000 C-nmr spectra by substmcture as weU as by peak assignments and by fiiU spectmm (64). Other databases include one by Varian and a CD-ROM system containing polymer spectra produced by Tsukuba University, Japan. CSEARCH, a system developed at the University of Vieima by Robien, searches a database of almost 16,000 C-nmr. Molecular Design Limited (MDL) has adapted the Robien database to be searched in the MACCS and ISIS graphical display and search environment (63). Projects are under way to link the MDL system with the Sadder Hbrary and its unique search capabiHties. [Pg.121]

The nuclear magnetic resonance spectrum of sodium valproate as shown in Figure 3 was obtained on a Varian Associates T-60 NMR Spectrometer in deuterium oxide containing tetramethylsilane as the internal standard. The spectral peak assignments (2) are presented in Table I. [Pg.531]

The C-NMR spectrum ofindinavir sulfate, shown in Figure 13, was obtained using a Bruker Instruments model AMX-400 nuclear magnetic resonance spectrometer operating at a frequency of 100.55 MHz as an approximate 4.16 % w/v solution in deuterium oxide. The 67.4 ppm resonance of dioxane was used as an external reference standard. Peak assignments are found in Table 8, and make use of the numbered structural formula given previously [11]. [Pg.344]

The assignment of these isomers was confirmed by nuclear magnetic resonance spectroscopy on a Perkin-Elmer 60 Mc./sec. NMR spectrometer, after removal of -OH by exchange with deuterium oxide. The spectrum of the cw-alcohol showed a single broad peak, while that of the trans-alcohol showed two peaks they thus resembled the spectra of the corresponding hydrocarbons (8). [Pg.7]

Table 2.1. Chemical shift references for biological phosphorus compounds in solution nuclear magnetic resonance spectroscopy. Bold type indicates general peak shift ranges regular type indicates specific chemical shift assignments. Table 2.1. Chemical shift references for biological phosphorus compounds in solution nuclear magnetic resonance spectroscopy. Bold type indicates general peak shift ranges regular type indicates specific chemical shift assignments.
Meadows DH, Jardetzky 0, Epand RM, Ruterjans HH, Scheraga HA. Assignment of the histidine peaks in the nuclear magnetic resonance spectrum of ribonuclease. Proc Natl Acad Sci USA 1968 60 766-772. [Pg.641]

The chemical structure of unsaturated polyester is more complex than expected in view of the chemistry described above. The nuclear magnetic resonance spectra of unsaturated polyesters present many small peaks that cannot be assigned to carboxylic or hydroxylic end groups alone. These are due to a number of side reactions. Of these, the addition of hydroxyl groups to double bonds is one of the most important side reactions in the synthesis of unsaturated polyesters by polycondensation. It leads to the formation of side chains and a modification of the stoichiometry due to diol consumption [4]. [Pg.726]

Fig. 4. [ H, C] Multiple-bond coherence (HMBC) nuclear magnetic resonance (NMR) spectrum of compound [27c]. The numbers in the proton and carbon spectra refer to the corresponding proton and carbon atoms of the assigned stmctures. Cross-peaks resulting from single- and multiple-bond coherences are indicated with two numbers, the first referring to the proton and the second to the carbon atoms involved in the coherence. For example, 12/1 indicates a coherence between H-12 and C-1 of structure [27c]. Cross-peaks of single bond coherences, indicated by identical proton and carbon numbers, are split by the large single bond proton-carbon couplings. Fig. 4. [ H, C] Multiple-bond coherence (HMBC) nuclear magnetic resonance (NMR) spectrum of compound [27c]. The numbers in the proton and carbon spectra refer to the corresponding proton and carbon atoms of the assigned stmctures. Cross-peaks resulting from single- and multiple-bond coherences are indicated with two numbers, the first referring to the proton and the second to the carbon atoms involved in the coherence. For example, 12/1 indicates a coherence between H-12 and C-1 of structure [27c]. Cross-peaks of single bond coherences, indicated by identical proton and carbon numbers, are split by the large single bond proton-carbon couplings.
Meadows, D.H., Jardetzk, O, Epand, R.M., et al. (1968) Assignment of histidine peaks in nuclear magnetic resonance spectrum of ribonuclease. Proceedings of the National Academy of Sciences rtf the United Stales of America, 60 (3), 766-772. [Pg.183]

Carbon peak assignments were not available in the earlier reports, and hence, a comprehensive study utilizing H, correlation spectroscopy (COSY), heteronuclear correlation (HETCOR), and heteronuclear multibond correlation (HMBC) nuclear magnetic resonance was undertaken. NMR CDCI3 (5 ppm vs. TMS (multiplicity H s coupling constant assignment)) 7.36 (d IH J5.4 Hz, H-2),... [Pg.424]

Nuclear Magnetic Resonance Spectroscopy Using an NMR instrument, obtain a proton NMR spectrum of your carvone. Compare your spectrum with the NMR spectra for (—)-carvone and (+)-limonene shown in this experiment. Attempt to assign as many peaks as you can. If your NMR instrument is capable of obtaining a carbon-13... [Pg.134]


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See also in sourсe #XX -- [ Pg.59 , Pg.60 , Pg.61 , Pg.325 , Pg.326 , Pg.327 , Pg.328 , Pg.329 ]




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Assigning resonances

Nuclear magnetic resonance assignment

Peak assignment

Resonance assignment

Resonance peaks

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