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Topic: NMR prediciton software  (Read 2803 times)

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Offline bobs

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NMR prediciton software
« on: March 26, 2009, 06:23:10 PM »
Does any body if there is any NMR prediction softwar is available. Like it predicts the best possible structure like molecular formula prediciton softwares..
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Offline azmanam

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Re: NMR prediciton software
« Reply #1 on: March 26, 2009, 08:11:03 PM »
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Offline gfunk

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Re: NMR prediciton software
« Reply #2 on: March 28, 2009, 07:04:49 PM »
Are you looking for software where you can import a spectrum and get a structure, or import a structure and get a spectrum?  The latter is easier -- I use ChemDraw 10 Ultra (has 13C-NMR and 1H-NMR prediction capabilities) or gNMR (free).

For the former, I believe ACD NMR Expert does that, but I'm sure it's pretty pricey.
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