Search results
Results From The WOW.Com Content Network
If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]
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.
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.
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 ]
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.
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.
Data must be entered in the NMR-STAR format, conversion from other common formats can be carried out using the STARch file converter provided at the site. [13] The site also contains an NMR-STAR template generator which produces formatted tables where NMR data can be entered. [14] NMR time-domain data is uploaded separately via ftp. [15]
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 ...