Modgraph Consultants Ltd.
- Extensive data base of compounds and NMR prediction software.
- http://www.modgraph.co.uk/index.htm

ScienceSoft's NMR Software Site
- Automated optimization and analysis of multi-dimensional Nuclear Magnetic Resonance spectra using NMRanalyst, AssembleIt, LockIt, and ShimIt.
- http://www.sciencesoft.net/

Predicting NMR Spectra
- Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.
- http://www.acdlabs.com/products/spec_lab/predict_nmr/

Chemical shifts for deuterated solvents
- A table.
- http://www.chem.ucla.edu/~bacher/General/30BL/NMR/deuterosolvents.html

BioMagResBank
- Repository for data from NMR spectroscopy on proteins, peptides, and nucleic acids.
- http://www.bmrb.wisc.edu/

H1 Prediction
- WEB based prediction of proton chemical shifts.
- http://www.colby.edu/chemistry/NMR/H1pred.html

ModelFree
- ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.
- http://cpmcnet.columbia.edu/dept/gsas/biochem/labs/palmer/software/modelfree.html

Gaussian Inc.
- Gaussian structure calculation software for your PC.
- http://www.gaussian.com/

MEXICO and MEX
- Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems
- http://www.chemistry.mcmaster.ca/~bain/mexmanc.html

HyperNMR
- Commercial program for a priori prediction of one-dimensional NMR spectra
- http://www.hallogram.com/science/hypernmr/index.html