I've encountered a number of free programs/internet plugins that can output IR spectra and the corresponding chemical shift/multiplicity data if you input a chemical structure, but are there any where you can input chemical shift/multiplicity data and get an output of at least the H1 NMR spectra?
There is this website that simulate 1H NMR spectra for a given molecule:
https://www.nmrdb.org/new_predictor/index.shtml?v=v2.82.3
Hello Brandon,
If you are looking to simulate/fit your NMR spectra you may wish to have a look at Spinworks, which has built-in ability to simulate/fit liquids NMR spectra. Topspin may also allow some simulation/fitting, but I've only used it for fitting dynamics/exchange so it would be best to double-check the manual. gNMR is another option, however, it has not been supported for sometime so you have have difficulty installing on newer versions of Windows.
Cheers,
Pedro
Spinworks: https://home.cc.umanitoba.ca/~wolowiec/spinworks/
Topspin: https://www.bruker.com/service/support-upgrades/software-downloads/nmr/free-topspin-processing/free-topspin-download.html
gNMR: https://home.cc.umanitoba.ca/~budzelaa/gNMR/gNMR.html
Even the programs like ChemOffice may simulate the NMR shift - either for 1H, or for 13C
To simulate the NMR spectrum from a given structure you may also try MestreNova and ACD Labs software.
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