May 17, 1996 Requires Windows 3.1 or latter, 4 MB RAM (8 MB recommended), and 14 MB free disk Space. This are NMR shift prediction programs for 13 C (CNMR) and 1 H (HNMR). You draw a chemical structure and send it to the NMR routine. The program generates a spectrum from shift tables. Fast and Accurate Algorithm for the Simulation of NMR spectra of Large Spin Systems. Journal of Magnetic Resonance 2011. Aires-de-Sousa, M. Gasteiger, “ Prediction of 1H NMR Chemical Shifts Using Neural Networks ”, Analytical Chemistry, 2002, 74 (1), 80-90.

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This page allows to predict the spectrum from the chemical structure based on 'Spinus'. You may find more information on the authors website.

References

• Banfi, D.; Patiny, L. www.nmrdb.org: Resurrecting and processing NMR spectra on-lineChimia, 2008, 62(4), 280-281.
• Andrés M. Castillo, Luc Patiny and Julien Wist. Fast and Accurate Algorithm for the Simulation of NMR spectra of Large Spin Systems.Journal of Magnetic Resonance2011.
• Aires-de-Sousa, M. Hemmer, J. Gasteiger, “Prediction of 1H NMR Chemical Shifts Using Neural Networks”, Analytical Chemistry, 2002, 74(1), 80-90 most of the proton descriptors are explained. In that work they were used for the prediction of 1H NMR chemical shifts by counterpropagation neural networks.

We thanks Molecular Networks for providing the predicting engine.

Free Programs:

• Sweet J graphic calculator for the Karplus equation
• SwaN-MR NMR processing for Mac OS Classic
• PDF 2 PICT converts pictures on the clipboard
• Chitarrella 11 healthy games you will never get tired of

Do you absolutely need to process a spectrum right now? You have to include a picture of that spectrum in a slideshow which is supposed to be ready in 5 minutes time? Then you have landed on the right site! Here are thedownload links for the Mac and the Windows version.You can use iNMR in demo mode and it is completely legal.

When you have finished processing(and, if you like, annotating) the spectrum,you can save it as a PNG file. You will be using a general Mac trick to generate a picture from the screen:

1. Press Cmd-Shift-4.
2. Select a portion of the screen with the mouse.

You can use iNMR in demo mode countless times, it never expires.We hope you find this service useful and will help us to continue offering it - please consider asubscription.

The iNMR reader is a commercial product that you can buy directly from the Mestrelab web store.You pay once and receive a key that will unlock all future versions of iNMR reader.The unlocked program can print and export PDF-quality pictures.

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