# Using Peak Deconvolution to Extract the 1H Count

When you work on enough NMR datasets, eventually you will run into cases where peaks are overlapping. One approach is to apply a peak deconvolution (or fitting) algorithm in an attempt to separate out the contribution of each overlapping peak.

The 1H NMR spectrum below shows a multiplet (dd) nearly buried by a large water peak at 3.30 ppm. Direct integration of the multiplet will give a skewed value due to the contribution from the water peak. If the multiplet at 2.87 ppm equates to 1 proton, then how many protons does the multiplet at 3.24 ppm equate to?

The calculation is shown below:

1. Total RA = Relative Area(Water) + Relative Area(dd)

= 134.85 + 13.98 + 13.54 = 162.37

2. Total DA = Deconvoluted Area(Water) + Deconvoluted Area(dd)

= 30077 + 403 = 30480

3. (Deconvoluted Area(dd) / Total DA) = (Relative Area(dd) / Total RA)

Relative Area(dd) = 403 * 162.37 / 30480 = 2.14 ~ 2 protons ## 4 Replies to “Using Peak Deconvolution to Extract the 1H Count”

1. Hoey Tan says:

Hello Arvin,
I have just discovered your science blog last few days ago.
and thanks alot, for giving me so much idea on the structural elucidation part, as i’m totally a newbie.
I would like to ask on the article entitled “Using Peak Deconvolution to Extract the 1H Count” on 18th of Aug, 2009.
May i know what is the deconvoluted area of the solvent peak and my target peak??
How could i calculate it out???
Regards,
Hoey

2. Arvin says:

Hello Hoey,
Thank you for taking an interest in my blog.
To answer your question, deconvolution is a process to extract individual peak information in cases where peaks are overlapping. It is described in detail in the link below. Many NMR software packages offer the deconvolution tool. ACD/Labs offers the NMR processing software for free to academics at: http://www.acdlabs.com/resources/freeware/nmr_proc/index.php .