WINDNMR-Pro (DNMR71.EXE) is a Windows program (Author) for simulating high resolution NMR spectra. It has two main goals:
WinDNMR will simulate the following NMR patterns:
Any of the spectral parameters (chemical shifts, couplings, linewidth,vertical and horizontal expansion, etc) can be easily modified in a variety of ways: by typing in a number; by adding or subtracting increments; or by smoothly moving the number up or down with a spin bar. Spectra are automatically recalculated for a "movie" effect.
"Simulation groups" of up to 15 simulations can be saved and restored for efficient lecture presentation, or for documenting and manipulating a variable temperature DNMR simulation. Simulation data can be copied to and from a spreadsheet program like Excel, allowing sophisticated manipulation of simulation parameters (i.e., creating temperature dependent chemical shifts, nuclei populations or rate constants).
Simulated spectra can be displayed as Lorenzian lines or in stick form (however stick spectra cannot be printed).
Spectra produced with the NUTS spectrum workup program, a TECMAG console, or PCNMR for Windows (J. Chem. Ed.: Software, Special Issue 7, 1994) can be loaded, displayed, and printed. At one time the program MestrC could load spectra in a number of formats, and save them as NUTS data files, it is not clear whether this feature still exists. However, all spectrometer software can save the data in ASCII text numeric format. WINDNMR can load such txt or csv files. If the data is of the form y y y y .... (a delimited series of intensities) you will be asked the sweep width in Hz, and the spectrometer frequency in MHz. If the data is of the formr x y x y .... (an alternating series of frequencies and intensities) the program will just ask for the MHz value and try and detect if the x values are in Hz or ppm. For the latter it will ask permission to do a ppm to Hz conversion. The spectra must have been Fourier transformed by the spectrometer software (WinDNMR cannot work with FID's).
Line Shape FittingAny of the simulations can be performed while a spectrum is displayed on the screen for accurate estimation of NMR parameters or DNMR rate constants.
Difference spectra (Spectrum - Simulation) can be displayed (Screen shot). This is useful for accurate Dynamic NMR line shape fitting. For this example the simulations were done with WINDNMR, the stacked plot graphic was created with WinPLT, and the research was published as Amine-Chelated Aryllithium Reagents - Structure and Dynamics, Reich, Goldenberg, Gudmundsson, Sanders, Kulicke, Simon, Guzei J. Am. Chem. Soc. 2001, 123, 8067-8079. PDF
OutputSpectra, simulations and/or difference spectra can be printed on any standard Windows output device. The user can control what appears in the printout.
Spectra, simulation, and/or difference spectra can be copied to the Clipboard as a Windows Metafile (WMF) or Windows bitmap (BMP) for transfer to other programs. The data that appears in the Windows Metafile can be defined by the user in the Print Setup panel. Spectra can also be exported as WMF, EMF, GIF, BMP or EPS files.
Spectra and simulations can be copied to the chemical drawing program PLT Version 7.1 for further processing, labelling with chemical structures and text, producing stacked plots, etc. (AA'BB', DNMR, ABX).
Downloading and installing WINDNMR-Pro on Windows-7 and Windows 10With Windows 7 Microsoft has made changes that no longer allow the standard Windows installation programs to function, Until this problem is resolved, you can install WINDNMR manually as follows (this, of course, will also work for earlier versions of Windows if you prefer a hands-on installation):
If you have trouble with this, a user of WINDNMR kindly converted the WINHELP files to HTML-HELP. They are primitive but functional, and can be found here: Windows Help Files for WinDNMR
WINDNMR-Pro is Free Shareware.