A Structure Elucidation System Using 1H-NMR and H-H COSY Spectra.
نویسندگان
چکیده
منابع مشابه
H–C NMR spectra
Background: Interest in the detailed lignin and polysaccharide composition of plant cell walls has surged within the past decade partly as a result of biotechnology research aimed at converting biomass to biofuels. High-resolution, solution-state 2D H–C HSQC NMR spectroscopy has proven to be an effective tool for rapid and reproducible fingerprinting of the numerous polysaccharides and lignin c...
متن کاملApplying ILP to Diterpene Structure Elucidation from 13C NMR Spectra
We present a novel application of ILP to the problem of diterpene structure elucidation from 13 C NMR spectra. Diterpenes are organic compounds of low molecular weight that are based on a skeleton of 20 carbon atoms. They are of signiicant chemical and commercial interest because of their use as lead compounds in the search for new pharmaceutical eeectors. The structure elucidation of diterpene...
متن کاملSYNTHESIS OF SOME SUBSTITUTED NAPHTHALENES VIA BENZYNE AND THEIR 13C-NMR AND 'H-NMR STUDIES
Aprotic diazotization of anthranilic acid with isoamylnitrite or amylnitrite gave benzenediazonium-2- carboxylate. Subsequent thermal decomposition of this diazonium salt (in situ) in 1,2-dichloroethane as a solvent at 85OC and in the presence of 2,5-diethyl-3,4-diphenylcyclopentadienonaes a trapping agent gave 1,4-diethyl-2, 3-diphenylnaphthalene in high yield, after loss of carbon monoxid...
متن کاملAutomated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks
The automated structure elucidation of organic molecules from experimentally obtained properties is extended by an entirely new approach. A genetic algorithm is implemented that uses molecular constitution structures as individuals. With this approach, the structure of organic molecules can be optimized to meet experimental criteria, if in addition a fast and accurate method for the prediction ...
متن کاملH NMR Signal Broadening in Spectra of MFI Type Zeolites
1. Introduction Isotropic mobility of molecules adsorbed in zeolites should completely average out spin interactions which cause line broadening in nuclear magnetic resonance (NMR) spectroscopy. But it is well-known that additional application of magic-angle spinning (MAS), Hahn-Echo (HE) or Carr-Purcell (CPMG) pulse sequences reduces the effective line broadening in such systems. This is essen...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: NIPPON KAGAKU KAISHI
سال: 2001
ISSN: 0369-4577
DOI: 10.1246/nikkashi.2001.111