| Autor: |
Hinneburg Alexander, Egert Björn, Porzel Andrea |
| Jazyk: |
angličtina |
| Rok vydání: |
2007 |
| Předmět: |
|
| Zdroj: |
Journal of Integrative Bioinformatics, Vol 4, Iss 1, Pp 64-80 (2007) |
| Druh dokumentu: |
article |
| ISSN: |
1613-4516 |
| DOI: |
10.1515/jib-2007-53 |
| Popis: |
2D-Nuclear magnetic resonance (NMR) spectra are used in the (structural) analysis of small molecules. In contrast to 1D-NMR spectra, 2D-NMR spectra correlate the chemical shifts of 1H and 13C at the same time. A spectrum consists of several peaks in a two--dimensional space. The most important information of a peak is the location of its center, which captures the bonding relationships of hydrogen and carbon atoms. A spectrum contains much information about the chemical structure of a product, but in most cases the structure cannot be read off in a simple and straightforward manner. Structure elucidation involves a considerable amount (manual) efforts. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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