Useful Links
(please notify me of any dead links so
I can update as necessary)
Software Downloads
- Wsearch32 - GC/MS software for PC. Please use the file
under Materials/Content/Software on D2L.
- OpenChrom -
Software for processing GC/MS files for Mac.
- Delta - NMR processing
software.
- Biovia Draw - Free molecule
drawing software. You will need to register first before
downloading.
- ACD/ChemSketch
- Another free molecule drawing software download.
- ChemDoodle
- Molecule drawing software for Mac or PC. Student
license is $29.
- Avogadro - Build
virtual molecular models.
Study Aids
Databases of Physical Constants
Spectroscopy Databases
- Database of Mass, IR, ESR, and NMR
Spectra: NIMCR's ISDBS for Organic Compounds
- Sigma-Aldrich is another place to look
for NMR spectra: www.SigmaAldrich.com
- After you search the compound click
for information on the specific product, then under
"POPULAR DOCUMENTS" check to see if there is a link
for a FT-NMR pdf file.
- Extensive online NMR reference includes
C-13 and proton chemical shifts compilation:
https://www.chem.wisc.edu/areas/reich/nmr/index.htm
- Database of IR and Mass Spectra. NIST
Chemistry WebBook
- NMR Spectrum Predictor** http://www.nmrdb.org/new_predictor/index.shtml?v=v2.82.3
**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.
Safety Data Sheets
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