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ACD/Labs Blog

1H NMR is the go-to technique to help identify or confirm the structure of organic compounds or those that contain protons. A solution-state proton spectrum is relatively fast to acquire, compared with other nuclei, 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 to help those just starting out with analyzing solution-phase 1H NMR spectra.

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 just doesn't seem to be enough hours in the day to get everything done. There are ways to gain time and be able to do more but they can be difficult to identify because until we’re exposed to them we carry on as we always have. If you are still doing any of the things discussed here, then there are ways you can gain hours in your day and even do your job better than you are right now!

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.

Last week I attended the annual small molecule NMR conference, SMASH, in Philadelphia, PA. It’s been an exciting year attending NMR meetings as an exhibitor with ACD/Labs and SMASH is my final stop for 2018. From opening with workshops and user meetings to its final symposium, SMASH was a huge success. Let’s take a look back at the most memorable events from last week in pictures.

At ACD/Labs, we are celebrating the 20th birthday of ACD/Structure Elucidator, our most powerful computer assisted structure elucidation (CASE) product. Much like a calculator, CASE is a tool for speeding up spectral analysis and verifying the results of de-Novo Structure Elucidation. CASE has made an amazing impact on our ability to elucidate compounds quickly and accurately by NMR, and has helped spectroscopists solve some of the most challenging elucidations. To better understand how CASE will influence research and development in the coming years, let’s look back on how it has evolved these past 20 years with respect to advancements in modern technology.

What do you think of when you hear the word predict? Before I started grad school, I probably would have answered that question with crystal balls and fortune tellers. In reality, scientific predictions are calculations based on empirical evidence - not gut feelings. When used appropriately, they play an integral role in expediting academic and industrial workflows, reducing instrument time, and ultimately, saving money.