BioNMR - What program can simulate a NMR spectrum for a given structure?

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lalitha r

10-01-2003 05:34 PM

are there any softwares in chemistry by which i can simulate a NMR spectrum by giving a structure?

are there any softwares in chemistry by which i can simulate a NMR spectrum by giving a structure?

Dr Oz

10-01-2003 05:34 PM

are there any softwares in chemistry by which i can simulate a NMR spectrum by giving a structure?

There are a couple of good spectra simulators.Cambridgesoft produces a whole chemistry program suite, and part of that suite is the prediction of 1-H and 13-C NMR spectra.ACD Labs has a fairly comprehensive NMR prediction software.I have used both and they are both pretty straightforward to use. I personally prefer CSoft answer since the structures are easier to draw.Oz
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