In my personal view, the Aldrich books with 13C as well as 1H are much
improved over the old 1H only versions and well worth the investment,
though you may want to consider one of the more expensive versions on
CD-ROM.
As to websites, here's one I have heard of but have not personally
investigated yet. It contains 1H and 13C NMR data, as well as IR, MS and
ESR spectra.
It might well be one you know about, but in case not here is the url
http://www.aist.go.jp/RIODB/SDBS/menu-e.html
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I suspect there may be more out there (e.g.,
http://www.chem.uni-potsdam.de/wizard.htm). Possibly the best
commercial s/w comes from ACD Labs (www.acdlabs.com). They have the
more recent Aldrich library of 1H/13C spectra on CD-ROM (with
substructure searching for the "pro" version), as well as a good 13C
predictor. We use CNMR Predictor, and find it to be good - much cheaper
than some (Sadler), but far from free. HyperNMR also claims to have
some ab inition tools for delta calculation. I don't want to make this
sound like a sales pitch, but the ACD site also allows you to pay as you
play (ILAB) over the Web.
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The hard copy versions of the Aldrich NMR library has been updated
within the last couple of years, with a higher field strength.
Aldrich have also collaborated with ACDLabs (see
http://www.acdlabs.com/ )to produce a CD-ROM version of the
Aldrich collection. It comes in 2 versions. Lite and Pro, of
which the Pro version is substructure searchable.
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ACD sells the Aldrich spectra as one of their many products. That could
essentially be a network version, so u r not slowed down by a CD.
Merck also has a library of spectra which I read lately is on CD, but at
this
moment I cannot seem to remember where I saw that.
*********************************************
Robert K. Sato, Ph.D.
Catalytica Inc.
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EMail: rks@mv.catalytica-inc.com