1H NMR Spectroscopy for CHM 222L Professor: S. Bruce King | Programming & Design: Yue-Ling Wong

Summary

Number of Different Hydrogens
Every chemically distinct hydrogen or group of hydrogens will give a resonance in the NMR spectra.

Integration
The area under the NMR resonance is proportional to the number of hydrogens which that resonance represents. In this way, by measuring or integrating the different NMR resonances, information regarding the relative numbers of chemically distinct hydrogens can be found. Experimentally, the integrals will appear as a line over the NMR spectrum.

Integration only gives information on the relative number of different hydrogens, not the absolute number.

Chemical Shift
Typical chemical shifts in proton nmr spectra

Structure chemical shift (ppm)
RCH3 0.8 - 1.2
R2CH2 1.1 - 1.5
R3CH ~1.5
ArCH3 2.2 - 2.5
R2NCH3 2.2 - 2.6
R2CHOR 3.2 - 4.3
R2CHCl 3.5 - 3.7
RC(=O)CHR2 2.0 - 2.7
RCHCR=CR2 ~1.7
RC=CH 4.9 - 5.9
ArH 6.0 - 8.0
RC(=O)H 9.4 - 10.4
RCCH 2.3 - 2.9
R2NH 2 - 4
ROH 1 - 6
ArOH 6 - 8
RCO2H 10 - 12

Splitting
NMR provides information on how many hydrogen neighbors exist for a particular hydrogen or group of equivalent hydrogens. In general, an NMR resonance will be split into N + 1 peaks where N = number of hydrogens on the adjacent atom or atoms.

No. of H's on the adjacent atoms
Splitting pattern
0
a single peak, a singlet
1
split into two peaks of equal size, a doublet
2
three peaks with an area in the ratio of 1:2:1, a triplet
3
four peaks with an area in the ratio of 1:3:3:1, a quartet