ACD/CNMR Predictor

Read what independent reviewers have said about previous versions of our CNMR software:

"ACD/Labs' ¹³C and ¹H NMR prediction software incorporates powerful features that generally result in remarkably accurate calculated NMR spectra."

"The interface is intuitive, and the basic features are all obvious."

"We found no defects or flaws in the software; the program was quick and ran flawlessly under Windows XP Pro with multiple user accounts and simple file sharing disabled. Customer support was outstanding."

"Students less experienced in NMR-based elucidation of structures found the software a useful resource in the sometimes frustrating task of interpreting spectra and confirming structural assignments."

"The software is an extraordinarily practical and convenient compendium of NMR data that effectively replaces the time consuming tasks of looking up individual NMR data from the Web, the primary literature, paper-based libraries of NMR spectra, or similar resources."

--Brian Pagenkopf, J. Am. Chem. Soc., 2005, 127, 3232

"For three series of mono-, di-, and trisubstituted pyridines, respectively, available incremental methods and calculation programs for estimating the corresponding ¹³C NMR chemical shifts were employed and compared with the results obtained. The following methods and programs were used for testing them for their accuracy: simple pyridine increments, a simplified increment calculation on the base of benzene increments (program AROSIM), the calculation method of Fürst and Pretsch (Carbon-13 module for ChemWindows), SPECAL from Specinfo (a database founded calculation program), CSPEC2, gNMR, CNMR, and HyperNMR, respectively.

"... The program CNMR, which has a knowledge base, gives the best results in our work. The greatest advantage of this program is the possibility to train this knowledge base by the user.

"... Future developements in this field should be oriented on the results of the CNMR program; the best chances will have programs with a large set of individual equations for a s many as possible different classes of compounds in combination with a large database."

--St. Thomas, I. Brühl, D. Heilmann, and E. Kleinpeter, J. Chem. Inf. Comput. Sci. 1997, 37, 726

"...Installation was straightforward and I encountered no problems or difficulties. The user interface is extremely well designed, intuitive, and easy to use. After working with the software for an hour, I was comfortable with most of the features. Ninety minutes after starting to install the program I had printed ¹³C NMR spectra for ten compounds. After that, I opened the manual. For a program with this many features, it is very easy to use."

"...I found the program did an excellent job predicting carbon spectra.... I checked the chemical shifts for ... eleven compounds... the standard deviation between the predicted and observed chemical shifts was +/- 1.4 ppm.... The accuracy of the prediction may be improved by adding compounds to the database. This is easy to do...."

--Scott Van Bramer, Concepts in Magnetic Resonance, July 1997

"... both the HNMR package and the CNMR package do an excellent job of predicting the spectra for typical organic compounds, such as those routinely employed in sophomore organic chemistry."

"... the most useful feature of these packages is that they are fully interactive. That is, if you touch the cursor to an atom on the drawing, its peak in the spectrum and its entries in the tables are highlighted and vice versa."

"...Overall, this is one of the most powerful and easy to use software packages I've seen....The students were universally enthusiastic about the package....

--Journal of Chemical Education, August 1997

"When ACD/CNMR was used to simulate the ¹³C NMR spectrum, the predicted spectrum showed the ... quaternary carbon ... unusually far upfield.... Later, a quantitative spectrum ... confirmed the assignment of that carbon."

"... I was initially reluctant to use a simulation program because of the inertia of learning (and mastering) a new molecular editor. However, the usefulness of ACD/CNMR soon had me convinced of its utility."

-- Sadanand V. Pathre, Analytical Chemistry 1996 68 740 A - 741 A.