Teaching Chemical Information:
Tips and Techniques

— March 1998 —

Data Collections: Spectra

Introduction to spectroscopy [computer file] : IR, NMR, CMR, mass spec / author, Fred W. Clough.: Version 2.0. Campton, NH : Trinity Software, c1994. 2 computer disks : col. ; 3 1/2 in. + 1 user's manual (22 p. : ill. ; 22 cm.) NOTES: System requirements: Macintosh computer; 4MB of RAM; System 6.x or 7.x; 5MB free hard disk space; HyperCard 2.x or HyperCard Player 2.x; color monitor highly recommended. Audience: Students in undergraduate level organic chemistry or advanced undergraduate spectroscopy classes. Summary: Programs present principles and strategies to interpret various spectra using reviews, tutorials and quizzes. Language: English, Year: 1994. ISBN 0-927365-47-2 (manual)
IR Mentor Pro: IR Mentor Pro is designed to improve interpretational skills and assist with the everyday interpretation of infrared spectra. IR Mentor Pro contains over 500 Frequencies and over 200 Functional Groups. IR Mentor CD Power Pack includes IR Mentor Pro with Media Link electronic CD-ROM version of “Infrared Characteristic Group Frequencies”—second edition by George Socrates. Produced by Bio-Rad Laboratories, A Division of Sadtler Research Laboratories.

ACD Interactive Lab: Predicts HNMR and CNMR spectra for compounds (only non-charged, non-organometallic structures with up to 255 heavy atoms can be processed).
JICST Factual Databases: Includes Crystal Structure, Mass Spectral, and Thermophysical and thermochemical databases. Also includes Crystal Structure search by WAIS.
NIST WebBook: Contains IR spectra for over 5000 compounds and mass spectra for over 8000 compounds.