Heat exchangers..to..structure prediction.

Richard Fronko (rfronko@microcide.com)
Fri, 20 Oct 1995 09:06:11 -0600

This is a two part request, each part totally unrelated to the other.

Part I-
I am in the process of putting together a VT system and would like to know
what everyone else uses out there. At the UW, we had home brew systesms
with heat exchanger coils and dewars with Dry ice/solvent for chilling or
regulating the temperature of probe VT air. I want to avoid this and am
looking into heat exchanger/refrigerant systems. I am aware of FTS but
would like names of other manufacturers as well as practical experiences
that people have had with these systems.

Part II-
I am also looking into structure prediction programs that utilize
proton/carbon NMR, MS, UV, IR data to predict structure. Specifically, I
am familiar with SpecTool from Chemical Concepts and have a demonstration
program of SpecTool on hand (It's free). Is anyone aware of a similar
predictive tool that will take a structure and calculate C-13 delta's? Is
there a data base of small molecules and corresponding H/C NMR data that
could be used in prediction?

Thanks for you help. I will post a summary of repsonses.

Richard M. Fronko
Sr. Analytical Chemist
MPI
rfronko@microcide.com
(415)428-3516 (O)
-3550 (F)