On-Line book on
Basics of NMR
a start at a local introduction to
NMR
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.
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.
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.
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:
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
Southern Oregon University