NMR Workbook Suite Archives - Page 5 of 7

The Basics of Interpreting a Proton (¹H) NMR Spectrum

Sanji Bhal Dec 2, 2021

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.

What’s in my NMR tube? An overview to the process of structure characterization – Part 1

ACDLabs Jan 27, 2021

In the first webinar of our series, we start by matching the spectral data against the entries from open access databases to check if the compound has been previously identified and avoid repetition of work (dereplication). The next step in structure determination is to verify the match between a proposed structure and the experimental NMR...

Automation in Sample Acquisition and Verification Adventures with Fluorine and Natural Products

Sherry Myles Sep 29, 2020

This virtual software symposium featured presentations from NMR experts at AstraZeneca, Merck, and JEOL, where they discussed how ACD/Labs software is being implemented into their analytical workflows to help accelerate R&D.

New Fields and Exciting Applications for Benchtop NMR’s

ACDLabs Aug 6, 2020

Benchtop instruments have made NMR spectroscopy more accessible to chemists and have opened new opportunities for the chemical industry. As this technology continues to evolve, benchtop NMR users will experience streamlined industrial workflows and accelerated innovation in Research and Development.

Best Practices for Mixture Analysis by NMR

ACDLabs Jun 16, 2020

Join this 40-minute webinar to hear about the effective strategies for the analysis of complex 1D and 2D NMR spectra of mixtures using ACD/Labs NMR tools.

Making Automated Structure Verification a Reality

ACDLabs Jun 2, 2020

This webinar highlights automated structure verification (ASV) tools and explores when to use the different type of structure verification, what types of NMR experiments to use to get the best results, and how to efficiently get the most from your ASV deployment.

Accelerating Impurity Identification and Characterization at Eli Lilly

ACDLabs Oct 19, 2019

Scientists utilize analytical instrumentation, electronic laboratory notebooks, and specialized software from ACD/Labs for impurity resolution management.

NMR Macro Applications and Development to Streamline Workflows at INVISTA

ACDLabs May 2, 2019

This application note discusses how INVISTA’s Nylon intermediates plant implemented ACD/NMR Workbook Suite and a new workflow that reduces processing and reporting on a single spectrum from 20 minutes to 20 seconds.

A New Method for the Reliable Detection of ¹³C Multiplets of Fluorine Containing Compounds

ACDLabs Feb 18, 2019

Here we present an analysis method that reliably peak-picks and identifies multiplets in the 13C spectra of organic compounds. This technique is based on accurately predicting the 19F coupled 13C spectrum of the proposed compound.

Using Predicted ¹³C NMR Spectra with Open Resources for Structure Dereplication

ACDLabs Jan 17, 2019

The ability to quickly and reliably separate and identify active components in natural product mixtures “using bio-assay and/or mass spectrometry guided fractionation” is critical for successful natural product-based drug discovery. Dereplication is the practice of screening active compounds early in the development process, to recognize and eliminate compounds that have been previously studied. This enables...

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