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The NMR data includes 1 H, 13 C, 11 B, 15 N, 17 O, 19 F, 29 Si, and 31 P. The data were in the form of graphically displayed line lists. The data were in the form of graphically displayed line lists. Access to the database could be purchased piecemeal or leased as the entire library through individual or group contracts.
Example of chemical shift index. The chemical shift index or CSI is a widely employed technique in protein nuclear magnetic resonance spectroscopy that can be used to display and identify the location (i.e. start and end) as well as the type of protein secondary structure (beta strands, helices and random coil regions) found in proteins using only backbone chemical shift data [1] [2] The ...
Typical 1 H NMR chemical shifts of carbohydrate ring protons are 3–6 ppm (4.5–5.5 ppm for anomeric protons). Typical 13 C NMR chemical shifts of carbohydrate ring carbons are 60–110 ppm In the case of simple mono- and oligosaccharide molecules, all proton signals are typically separated from one another (usually at 500 MHz or better NMR ...
This series of experiments, each with a different value of t 1, allows for the detection of chemical shifts from nuclei that may not be observed directly in a one-dimensional spectrum. As t 1 is incremented, cross-peaks are produced in the resulting 2D spectrum, representing interactions like coupling or spatial proximity between nuclei. This ...
Sodium trimethylsilylpropanesulfonate (DSS) is the organosilicon compound with the formula (CH 3) 3 SiCH 2 CH 2 CH 2 SO 3 − Na +. It is the sodium salt of trimethylsilylpropanesulfonic acid. A white, water-soluble solid, it is used as a chemical shift standard for proton NMR spectroscopy of aqueous solutions. [1]
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The 2.5 ppm + 3.5 Hz signal will be split into 2.5 ppm + 7 Hz and 2.5 ppm. The 2.5 ppm − 3.5 Hz signal will be split into 2.5 ppm and 2.5 ppm − 7 Hz. The net result is not a signal consisting of 4 peaks but three: one signal at 7 Hz above 2.5 ppm, two signals occur at 2.5 ppm, and a final one at 7 Hz below 2.5 ppm.