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SDBS includes 14700 1 H NMR spectra and 13000 13 C NMR spectra as well as FT-IR, Raman, ESR, and MS data. The data are stored and displayed as an image of the processed data. Annotation is achieved by a list of the chemical shifts correlated to letters which are also used to label a molecular line drawing.
Methyl tert-butyl ether (MTBE), also known as tert-butyl methyl ether, is an organic compound with a structural formula (CH 3) 3 COCH 3. MTBE is a volatile, flammable, and colorless liquid that is sparingly soluble in water. [ 1 ]
In liquid-state NMR spectroscopy, the sample to be studied is dissolved in a solvent. Typically, the concentration of the solvent is much higher than the concentration of the solutes of interest. The signal from the solvent can overwhelm that of the solute, and the NMR instrument may not collect any meaningful data.
This experiment correlates the chemical shift of amide of a residue the Cα of the same residue as well as those of the preceding residue. [2] Each strip gives two peaks, the inter and intra-residue Cα peaks. Peak from the preceding Cα may be identified from the HN(CO)CA experiment which gives only the inter-residue Cα.
Solid-state 900 MHz (21.1 T [1]) NMR spectrometer at the Canadian National Ultrahigh-field NMR Facility for Solids. Solid-state nuclear magnetic resonance (ssNMR) is a spectroscopy technique used to characterize atomic-level structure and dynamics in solid materials. ssNMR spectra are broader due to nuclear spin interactions which can be categorized as dipolar coupling, chemical shielding ...
The difference in chemical shift, δ, relative to the J-coupling between nuclei mirrors the separation of the letter labels in the Latin alphabet. The letters used tend to be limited to A,B,M,N,X,Y. For example, AB indicates two nuclei which have similar chemical shifts (Δδ similar to or smaller than J), whereas AX indicates two which lie ...
When interpreting the COSY spectrum, diagonal peaks correspond to the 1D chemical shifts of individual nuclei, similar to the standard peaks in a 1D NMR spectrum. The key feature of a COSY spectrum is the presence of cross-peaks as shown in Figure 1, indicating coupling between pairs of nuclei.
Occasionally, small peaks can be seen shouldering the main 1 H NMR peaks. These peaks are not the result of proton-proton coupling, but result from the coupling of 1 H atoms to an adjoining carbon-13 (13 C) atom. These small peaks are known as carbon satellites as they are small and appear around the main 1 H peak i.e. satellite (around) to