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ACD/Labs Blog

As I am closely approaching my one year anniversary of this blog (how time flies!), Arvin’s post entitled, "How Do I Know if my Unknown Contains a Fluorine Atom",  reminded me an X-nuclei related post from almost a year ago. In that post I highlighted a best practice document written by Gary Martin for acquiring...

It’s a fair question. We have a lot of different NMR software products that do many different things. In total, ACD/Labs actually has over 100 different products as in addition to NMR software we also develop chemical drawing, naming, and databasing, MS, Chrom, UV-IR, PhysChem and more. Sometimes this sheer amount of choice and complexity...

Tony at the ChemSpider Blog points us to two gems. A peek at an 15N NMR prediction validation study that was conducted during the writing of a book chapter to be published by Gary Martin in the book entitled Modern Alkaloids. Suffice to say, the performance was excellent. A plot of observed vs. calculated 15N...

"I don’t run enough 15N, 19F, or 31P. Therefore, I can’t justify purchasing predictors." Isn’t this exactly why a spectroscopist may need prediction for these types of experiments? If for example, you run five 31P NMR experiments a year, does the interpretation of these spectra take much longer than the average1H NMR spectrum? Where do...