www.cheminfo.org
Multiplet simulator
1H Prediction
13C Prediction
COSY Prediction
HSQC Prediction
www.nmrdb.org
NMR simulator
Predict 1H NMR
Predict 13C NMR
Predict COSY
Predict HSQC
ir.cheminfo.org
Draw molecule, predict infrared spectrum, then click on orange bars over the spectrum to see animation of the peak vibration.
webspectra.chem.ucla.edu
Problems in NMR and IR Spectroscopy
www.orgchemboulder.com/Spectroscopy
Organic Chemistry Spectroscopy Problems
Sigma Aldrich
Search by name, select a catalog number, look under Documentation for NMR, IR, or Raman spectra
Spectral Database for Organic Compounds SDBS, AIST Japan
Compound and Spectral Search (MS, NMR, IR, Raman, ESR)
Hans Reich
Structure Determination Using NMR
The Getty Conservation Institute
Infrared Spectroscopy in Conservation Science (pdf)
RRUFF Project Mineral Spectra
Raman, IR, and XRD by mineral name