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. The recommended method for viewing these spectra, is to use 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.
We will no longer be offering the NPJDX.DLL plugin or 32-bit application JCAMPVW.EXE
from the web site here, but will instead be involved in upgrades to the CHIME plugin.
A condition of our contract is that a free version for student and academic use will
always be available from MDL.
So, first install CHIME version 2 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.
o-dichlorobenzene
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.
A useful compilation of Educational NMR software has been organised by Peter Lundberg in Sweden.
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 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.
Some problems in Spectroscopy can be found at the following sites:
http://www.chem.tamu.edu/organic/orgmain.html
http://chipo.chem.uic.edu/web1/ocol/spec/SpecHome.htm
http://www.nd.edu/~smithgrp/structure/workbook.html
http://www.chem.ucla.edu/~webnmr/index.html
Created Dec 1994. Last modified 30th June 1999.
URL http://wwwchem.uwimona.edu.jm:1104/spectra/NMRIndex.html