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Topic: a programme for predicting H-NMR spectra?  (Read 8184 times)

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Offline Albert

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a programme for predicting H-NMR spectra?
« on: May 15, 2005, 04:00:25 PM »
I am looking for a programme for predicting H-NMR spectra (something freeware or shareware).
You know, the kind of programme where you draw a molecule and it gives you an example of  how a real spectrum may be.
I know there is such a programme called ACD-NMR (or something like that)...but unfortunately I think it is not for free.

Thank you very much.
« Last Edit: May 16, 2005, 07:58:55 PM by Mitch »

Offline Jd1828

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Re:H-NMR spectra
« Reply #1 on: May 15, 2005, 08:38:16 PM »

corey2

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Re:H-NMR spectra
« Reply #2 on: May 16, 2005, 10:55:20 AM »
In my lab we use Hyperchem with Hyper-NMR for molecular orbitals calculation and prediction of J couplings (from hours to days of calculation), or ChemDraw for empiric prediction (2005 version give very realistic spectra in seconds)

Offline Mitch

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Re:H-NMR spectra
« Reply #3 on: May 16, 2005, 07:58:29 PM »
Chem draw works well for my needs.
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