Useful Links for Chemistry 351
Software Downloads
I highly recommend that you download and install
Accelrys Draw or ChemSketch. You can use them to prepare
more professional looking graphics in lab reports (worth
bonus points) and they have some amazing capabilities
including IUPAC name generation.
Study Aids
Databases of Physical Constants and Spectra
- CHEMnetBASE. Try the Properties of Organic Compounds database!
- Database of
Mass, IR, ESR, and NMR Spectra: NIMCR's ISDBS for Organic Compounds
- This is a service
provided by the Japanese National Science
Foundation. Since the earthquake/tsunami/meltdown
last year the site has intermittent down
times.
- Sigma-Aldrich is another place to look for NMR and IR spectra: www.SigmaAldrich.com
- After you
search the compound click for information on the
specific product, then select the "Safety &
Documentation". If NMR data is available there will
be a link labeled "FT-NMR" in the Documents list.
- C-13 Chemical
Shifts: http://www.chem.wisc.edu/areas/reich/Handouts/nmr-c13/cdata.htm
- H-1 Chemical
Shifts: http://www.chem.wisc.edu/areas/reich/handouts/nmr-h/hdata.htm
- NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities
- The above paper, published in J. Org. Chem. in 1997, is number one on the most read articles list for this journal.
- NMR Spectrum
Predictor** http://www.nmrdb.org/predictor
- C-13 NMR Shift
Predictor** http://www.colby.edu/chemistry/PChem/scripts/MarvinWeb/smiBSmarv.html
**Beware putting too
much credence in the NMR predictors. These only
predict spectral data based on a relatively small set
of known compounds' spectra. The results obtained
cannot by any stretch be used as "true",
"literature", or "theoretical" values. However,
sometimes they can be used as a "guesstimate" of where
your peaks should be.
- WSU
Spectral Database: Small database of compounds prepared at WSU.
- ChemIDPlus. Detailed toxicity data for 139,000 common compounds.
- http://www.emolecules.com/ Allows one to search for
information by drawing the structure of the compound.
- Databases available through the WSU
library Includes on-line archive of all ACS
journals!
- Five-Ash database
of IR spectra. Use the WSU
Library Databases link access this database.
- Look up physical
constants on-line: CambridgeSoft's ChemFinder
- Database of IR
and Mass Spectra. NIST
Chemistry WebBook
- Periodic table
with links to properties of the elements: Chemicool
Periodic Table
- When all else
fails try googling it! www.google.com (Actually, you might want to try googling it first!)
Online libraries of Material Safety Data Sheets
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