NMR Testing Laboratory

Industrial NMR Spectroscopy Applications

Table 1 1H Shifts

Chemical Shift Table 1
Proton NMR Assignments for Functional Groups of Interest in Petroleum Chemistry.
Peak Position* Assignment (comments)
0.5 – 1.0 CH3 gamma and further naphthenic CH and CH2 seperation at 1.0 ppm is generally not base resolved.
1.0 – 1.7 CH2 beta and further. Some beta CH. Separation at 1.7 ppm is generally not base resolved.
1.7 – 1.9 Most CH, CH2, beta hydro-aromatic. This shoulder is one of the best available ways to estimate hydro-aromaticity.
1.9 – 2.1 CH3 alpha to aromatic carbons. Separation at 2.4 ppm is generally not base resolved.
2.4 – 3.5 CH, CH2 alpha to aromatic carbons.
3.5 – 4.5 CH2 bridge (diphenylmethane)
4.5 – 6.0 Olefinic-H
6.0 – 7.2 Single ring aromatic H.
7.2 – 8.3 Diaromatic and most of tri and tetra-aromatic.
8.3 – 8.9 Some tri and tetra-aromatic rings.
8.9 – 9.3 Some tetra-aromatic rings.
* Referenced to TMS (tetramethylsilane) at 0 ppm (units = ppm)