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ACD/Labs Blog

Understand the acronyms and abbreviations of the field of NMR. Explore general and experiment-specific acronyms in this essential guide.

Due to their broad peaks and wide range of chemical shifts in 1H NMR spectra, exchangeable protons are known to pose challenges in NMR interpretation, but collecting 2D spectra and selecting proper experimental conditions can sometimes be used in our favor to learn more.

1H NMR is the go-to technique to help identify or confirm the structure of organic compounds. A solution-state proton spectrum is relatively fast to acquire and a lot of information about the structure of a compound can be deduced from it. With centuries of combined experience in NMR data interpretation, we thought we’d share the basics of analyzing solution-phase 1H NMR spectra in this blog.

In the absence of in person events we are finding opportunities to meet virtually, such as our first Virtual NMR Software Symposium held just a few weeks ago. I really enjoyed meeting with fellow NMR specialists and wanted to share some of the key concepts and takeaways from the presentations given.

Benchtop NMR instruments are becoming an indispensable addition to the analytical laboratory for their ability to make NMR spectroscopy more accessible to chemists. Here we discuss the newer applications of benchtop NMR including material testing, flow chemistry and use in teaching.

There are numerous ways that the 3D structure of a molecule can be elucidated, including the use of our own ACD/Structure Elucidator software. I had the chance to sit down with Dimitris Argyropoulos, our NMR Business Manager, after SMASH 2019 and discuss 3D structure elucidation and the technology involved in its current and future use.

Reliable structure verification of candidate molecules is at the very core of any successful chemical discovery or development program. NMR provides unprecedented levels of information for unraveling the actual structure of compounds, and is an essential tool for chemists to confirm that they made what they intended to make. Read on to learn about ACD/Labs' efforts in the area of structure verification.