ENC

Computer Assisted Structure Elucidation (CASE) has made a huge progress since it was first introduced, and is now considered a reference tool for solving very complex structures. However, there is always the question on what type of 2D experiments should be recorded in order to efficiently solve the problem at hand. In this poster we will examine the effect of various 2D spectra on the elucidation time, illustrated by three different examples: a very simple structure, a complex natural product and finally a proton deficient structure considered to be solved using only an INADEQUATE spectrum.

NMR data is somewhat different from other forms of analytical data, in that datasets are comparably larger and contain useful information throughout the acquired FIDs. Historically a variety of programming languages have been used for NMR software to process data. However, there is rarely a single programming language used exclusively, and most comprehensive NMR software applications use compiled modules written in a variety of languages. In this poster, we examine modern technologies for NMR software development with their advantages and drawbacks for both the programmer and the end user, using specific examples from various implementations.