I’m just going to leave this here, for the next time I (or anyone else) want to determine the in-tube concentration of an NMR sample.[1,2]
| Solvent | [Residual] in mM |
| Acetic Acid-d4 | 27.1 |
| Acetone-d6 | 2.30 |
| Acetonitrile-d3 | 13.1 |
| Benzene-d6 | 9.52 |
| Chloroform-d | 25.1 |
| Dimethylsulfoxide-d6 | 2.38 |
| Methanol-d4 | 12.7 |
| Pyridine-d4 | 14.8 |
| Tetrahydrofuran-d8 | 7.78 |
| Toluene-d8 | 5.94 |
| Water-d2 | 145 |
Values are derived from this formula:
1000*(1-X)*d/(MW*Y)
x = the posted deuterium purity (ie. “99.8%” CDCl3)
y= number of hydrogen/deterium atoms per molecule.
d = density of the deutero solvent.
MW for residual solvent (ex. CHD3O for methanol)
[1] Low concentration samples can be calculated by using the 13C satellite bands, which are 1/200 the concentration of the standard residual peak.
[2] For water, rinse the NMR tube, vial, etc. with D2O prior to dissolving your sample.
Chemtips 
Very interesting! Is there some sort of literature reference for this?
What you’re looking for is qNMR; quantitative NMR.
These values are derived from the purity listed on the solvent bottles, using 1st principles. They’re also pretty crude, especially under a standard pulse sequence.
If you want to measure concentrations for a paper you’re better off adding inert compound of known concentration, instead of using the solvent residue peak (I wrote briefly about this approach here). This lets you muck with the solvent without affecting your standard, and can be used for yield by NMR and other fun techniques.
hello, i have the reference for the determination of residual peak of solvent here in the ref J. Org. Chem. 1997, 62, 7512-7515.
Good Luck for every one