This document discusses resources available for structure elucidation of organic molecules at the Magnetic Resonance Research Center of the University of Notre Dame and gives brief recommendations.
Here are sample requirements for acquisition of necessary spectral data on Bruker 800 with a room-temperature probe (TXI).
1. Minimum advisable concentration = 5 mM
2. NMR tube volume:
3. How much compound in milligrams will you need?
[Weight of your compound, mg] = [concentration, mM] * [molecular weight, g/mol] * [sample volume, ml] /1000
To make a sample of 650 Da compound in a Shigemi tube, I need to have
5 mmol/L * 650 g/mol * 0.3 ml /1000 = 0.98 mg
4. The sample must be stable at room temperature for, at least, 24 hours.
As of 2/2/2022, we recommend