NMR Index

On-Line book on Basics of NMR
a start at a local introduction to NMR

The recommended method for viewing these spectra, is to use CHIME logo a 32-bit plug-in for Netscape or Internet Explorer from Molecular Design Limited, Information Systems, Inc. (MDL). This includes our code for displaying JCAMP-DX files.

So, first install CHIME version 2.6 and then any of the spectra below can be displayed in your browser window. You can create your own pages by simply running a spectrum, exporting the data file as a JCAMP-DX file, then use the embed statement to load the file from your web page. A new tag has been added to allow spectra to be initially displayed from high to low PPM rather than having to load and then use the menu option.
An example might be <embed src=pyridine.jdx jcamp_revplot=true width=65% height=65% >

The JCAMP-DX working group meeting, held in Germany in September 1998, reiterated that the published specifications for NMR require spectra to be stored in Hz even though they are usually displayed in PPM. This meant that all NMR spectra on this page were NOT compliant with the specifications. This was corrected in October 1998.

The following 1H spectra (about 10-20K each) are courtesy of Dr Genieve Henry, a former post-graduate Chemistry student at Mona.
pyridine (courtesy of Widener University)
Co(DMG)2Et.pyr This complex is prepared during the BioInorganic course. It has been used as a model for coenzyme B12.

Some interpreted NMR spectra (1H and 13C) have been produced as part of a demo to show how CHIME 2 can be used to display both spectrum and molecular display and establish links between the two.

Part of our contribution to the Electronic Conference on Trends in Organic Chemistry - ECTOC concerned the formation of an adduct on reaction of ammonium acetate with benzaldehyde. The full paper which describes the spectra used in characterising the product, is maintained at this site.

Links to NMR sites

On-line WWW NMR.
NMR Information Service.
A useful compilation of Educational NMR software was organised by Peter Lundberg in Sweden.
The University of York, UK maintains a set of pages called NMRWeb with numerous links.
The University of Erlangen, Germany has links on NMR/ESR software.

Scott Van Bramer has been developing web pages around spectroscopic themes and created a set of NMR spectra for download at Widener University

There is a collection of NMR files (FID) at Pacific Lutheran University in NUTS format.

ACD Labs

ACD Labs have a suite of programs for drawing a molecule using ChemSKETCH to viewing it in 3D and from there to prediction of either proton or carbon NMR spectra. You can zoom, integrate and view coupling constants, etc. from the display software. SpecManager -definitely worth a look.

Acorn software for NMR (NUTS) now will read and write JCAMP-DX formatted NMR files. See their NMR software at http://www.acornnmr.com.

MestRe-C NMR software will read and write NUTS and JCAMP-DX files and is useful for converting from proprietary instrument manufacturer file formats to NUTS or JCAMP-DX files.

A free VB script running in Excel is available from BlackRobin software. It will read a JCAMP-DX DIFDUP file and convert it to 2 columns of data and automatically display the NMR in Excel.

Another free viewer (JDXView) can be found at the University of Vienna.

Some problems in Spectroscopy can be found at the following sites:
Southern Oregon University

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Created and maintained by Prof. Robert J. Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created Dec 1994. Links checked and/or last modified 16th October 2004.
URL http://wwwchem.uwimona.edu.jm/spectra/NMRIndex.html