ChemNMR - Reviews

Quotes from customers using ChemNMR within CambridgeSoft's molecule editor ChemDraw

Review 1
Review 2
Review 3
Review 4
Review 5
Review 6

Tony Herlt
in "Putting ChemNMR to the Test"

I recently received a copy of ChemDraw Ultra version 5.0 for Windows, and was especially interested in checking out its NMR predicting features. I already had experience using Advanced Chemistry Development's web based NMR predictor ACD/NMR w 2.7 , and wanted to compare how the two programs predicted chemical shifts for a reasonably complicated molecule where all resonances had been assigned.

Marco Kubiak, graduate student of biochemistry at Technische Universitaet of Darmstadt, Germany
in "ChemDraw 5.0 Ultra - Visible Chemistry for YOUR desktop"

... The greatest function for me is ChemNMR. This powerful tool based on an incremental system and is able to predict 1H- and 13C-NMR shifts from your structures.
... results correspond very well with experimentell data. With ChemNMR I do not have to do the stupid calculation of all the increments. This safes a lot time doing more important work.

Joel Krauser, 3rd year Ph.D. candidate at Georgia Tech.
in "ChemDraw for Grad Students"

... I was also very impressed with the accuracy of NMR prediction feature. I found that the predictions closely matched the experimental spectra of novel compounds prepared in our laboratory.

Volker S. Rahn, is currently doing his diploma dissertation under supervision of Prof. H. M. R. Hoffmann at the University of Hannover, Germany.
in "ChemDraw 5.0: a powerful program for structure drawing & more"

... Another highlight of ChemDraw is the possibility to calculate 1H-NMR and 13C-NMR shifts. By the use of increments, the chemical shift of H- and C- signals is calculated. ChemDraw tries to derive unknown structures back to known ones. It goes so far that unknown cyclic systems are changed into acyclic chains. The chemical shift is much affected by this and the used solvent has its own effect. As a result, the calculated chemical shift can differ a lot from the experimental data. But surprisingly, a good accordance is within reach very often, depending on the complexity of the used structure. In addition to these data, a report file with all the used increments is provided. When these calculated data are used critically, they can give a good idea of the expected experimental data. Nevertheless, it should not be neglected that, these data can be only some kind of assistance for the careful interpretation of the experimental data.

Matthew Needleman, biochemistry senior and math major at Bowdoin College in Bruswick, ME.
in "A Necessity for Undergrad Science Majors and Premeds"

... Most organic chemistry courses are stressing the use of NMR spectroscopy. ChemDraw 5.0 Ultra contains ChemNMR which predicts 13C and 1H NMR shifts from ChemDraw structures. All you do is make a molecule, and about a second later you have the shifts for that molecule. This is such an amazing and useful feature! There are so many times when knowing a spectra would be helpful. If you are given a spectra, and you make a guess about the molecule's structure, you can check it easily by having ChemNMR predict that molecule's shifts. Checking your NMR spectra in this way can guarantee that you always analyze a spectra correctly. Another nice feature of the program is that it gives detailed information of how it calculated the peaks for a particular molecule.

Dan Horne, graduate student at Stanford University
in "The Superior Drawing Package for a Ph.D. Student"

... One of the big changes with this version is the addition of several useful add on features: ChemNMR, and the namingfunctions "Structure-->Name" and "Name-->Structure". ChemNMR is very easy to use and predicts the 1HNMR and 13CNMR shift positions from a structure and outputs the results as line spectra. I found this feature to be very useful; the chemical shift positions are right on with the actual spectra and can be very helpful in determining which proton is which when interpreting spectra. I would also imagine that an undergraduate organic chemistry student would find this feature very useful as it would help them to learn NMR interpretation. My only complaint with the feature is that splitting pattern and solvent effects are not supported for 1HNMR spectra, maybe in a future version of the software these features will be supported.

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	Quotes from customers using ChemNMR within CambridgeSoft's molecule editor ChemDraw
Review 1 Review 2 Review 3 Review 4 Review 5 Review 6	Tony Herlt in "Putting ChemNMR to the Test" I recently received a copy of ChemDraw Ultra version 5.0 for Windows, and was especially interested in checking out its NMR predicting features. I already had experience using Advanced Chemistry Development's web based NMR predictor ACD/NMR w 2.7 , and wanted to compare how the two programs predicted chemical shifts for a reasonably complicated molecule where all resonances had been assigned.
	Marco Kubiak, graduate student of biochemistry at Technische Universitaet of Darmstadt, Germany in "ChemDraw 5.0 Ultra - Visible Chemistry for YOUR desktop"
	... The greatest function for me is ChemNMR. This powerful tool based on an incremental system and is able to predict 1H- and 13C-NMR shifts from your structures. ... results correspond very well with experimentell data. With ChemNMR I do not have to do the stupid calculation of all the increments. This safes a lot time doing more important work.
	Joel Krauser, 3rd year Ph.D. candidate at Georgia Tech. in "ChemDraw for Grad Students"
	... I was also very impressed with the accuracy of NMR prediction feature. I found that the predictions closely matched the experimental spectra of novel compounds prepared in our laboratory.
	Volker S. Rahn, is currently doing his diploma dissertation under supervision of Prof. H. M. R. Hoffmann at the University of Hannover, Germany. in "ChemDraw 5.0: a powerful program for structure drawing & more"
	... Another highlight of ChemDraw is the possibility to calculate 1H-NMR and 13C-NMR shifts. By the use of increments, the chemical shift of H- and C- signals is calculated. ChemDraw tries to derive unknown structures back to known ones. It goes so far that unknown cyclic systems are changed into acyclic chains. The chemical shift is much affected by this and the used solvent has its own effect. As a result, the calculated chemical shift can differ a lot from the experimental data. But surprisingly, a good accordance is within reach very often, depending on the complexity of the used structure. In addition to these data, a report file with all the used increments is provided. When these calculated data are used critically, they can give a good idea of the expected experimental data. Nevertheless, it should not be neglected that, these data can be only some kind of assistance for the careful interpretation of the experimental data.
	Matthew Needleman, biochemistry senior and math major at Bowdoin College in Bruswick, ME. in "A Necessity for Undergrad Science Majors and Premeds"
	... Most organic chemistry courses are stressing the use of NMR spectroscopy. ChemDraw 5.0 Ultra contains ChemNMR which predicts 13C and 1H NMR shifts from ChemDraw structures. All you do is make a molecule, and about a second later you have the shifts for that molecule. This is such an amazing and useful feature! There are so many times when knowing a spectra would be helpful. If you are given a spectra, and you make a guess about the molecule's structure, you can check it easily by having ChemNMR predict that molecule's shifts. Checking your NMR spectra in this way can guarantee that you always analyze a spectra correctly. Another nice feature of the program is that it gives detailed information of how it calculated the peaks for a particular molecule.
	Dan Horne, graduate student at Stanford University in "The Superior Drawing Package for a Ph.D. Student"
	... One of the big changes with this version is the addition of several useful add on features: ChemNMR, and the namingfunctions "Structure-->Name" and "Name-->Structure". ChemNMR is very easy to use and predicts the 1HNMR and 13CNMR shift positions from a structure and outputs the results as line spectra. I found this feature to be very useful; the chemical shift positions are right on with the actual spectra and can be very helpful in determining which proton is which when interpreting spectra. I would also imagine that an undergraduate organic chemistry student would find this feature very useful as it would help them to learn NMR interpretation. My only complaint with the feature is that splitting pattern and solvent effects are not supported for 1HNMR spectra, maybe in a future version of the software these features will be supported.


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