Although NMR is an advanced analytical technique, today it is used as a routine method in many small molecule labs, for identifying, verifying, proving and even elucidating chemical structures. However, interpreting the resulting NMR spectra requires expert knowledge and experience, and can often be very time consuming.
Here we will present best practice workflows for handling common routine tasks in small molecule NMR analysis. We will show ways to use software tools which help answer analytical chemistry questions that arise every day in synthesis and compound isolation labs.
We will present the next level of NMR data interpretation software which can greatly simplify or even fully automate routine analytical tasks.
We will focus on two different but typical analytical tasks. Firstly, the handling and interpretation of NMR data to control the success of organic synthesis, using our CMC-assist software package. This includes the concept of FastLaneNMR, a unique feature that automatically delivers fully interpreted NMR datasets, not just sole spectra.
Secondly we will highlight the latest developments in CMC-se for de-novo structure elucidation of small, unknown organic compounds. Using CMC-se, structure verification and even data analysis for structure proofs can quickly become routine, or even a semi-automated process.
In addition to the automation feature we will present our latest addition, the CMC-assist Classroom edition, to help you to either teach or study all aspects of NMR data interpretation. Even though the automatic analysis has come a long way and within CMC is very comprehensive and quite sophisticated, the aspect of teaching is extremely important as the human expert will always be the master and have to have the final word.
