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eGPAT (/)
The number of peaks shown by a compound in proton NMR depends on the presence of magnetically non-equivalent protons in the
compound.
So in order to predict NMR spectra, we should count protons with different magnetic environment.
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Protons may have different chemical and magnetic environment. Here we will see different examples and how we can determine the
possible number of peaks in proton NMR. Lets start with simple structures.
Initially observe the structure for protons with different linkage. Protons with same linkage are considered as similar type .
Example 1:
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11/25/2017 How to determine the number of peaks in proton NMR
eGPAT (/)
Here all protons are equivalent as they are similarly connected to carbon.
Remember ! In aliphatic compounds protons attached to same carbon are completely equivalent and therefore give single NMR
signal.
Example 2 :
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11/25/2017 How to determine the number of peaks in proton NMR
eGPAT (/)
In the above example, all the six protons are equivalent as they are connected in similar way to carbon which is connected to another
carbon. Here all these protons are primary protons.
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On the other hand compounds that can show stereoisomerism can exhibit different configuration. Practically many of the important
organic and medicinal compounds are unsaturated and therefore show different configuration. Similarly cyclic compounds show
geometrical isomerism hence protons lie in different environment.
Here lets see few examples of aliphatic unsaturated compounds and how to predict NMR signals.
Example 3 :
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11/25/2017 How to determine the number of peaks in proton NMR
eGPAT (/)
Here we can observe two types of protons viz. methyl (-CH3) protons and methylene
In the above structure, we can observe two types of protons with different linkage viz. Vinylic (CH2=) proton and=CHCl
If we expand the structure and observe its configuration, we can observe three types of protons.
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11/25/2017 How to determine the number of peaks in proton NMR
eGPAT (/)
Here the protons present on=CH2 are connected equally and they are chemically equivalent.
Now indicate all the magnetically non-equivalent protons with letters a,b,c etc. If protons have same linkage but different
configuration they are differentiated by letter prime.
This is already observed in above examples where each magnetically non-equivalent nuclei is indicated by alphabetic letter.
Now count all protons which give total no. of NMR signals possible.
Working examples
Lets apply the above steps with few working examples.
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11/25/2017 How to determine the number of peaks in proton NMR
Working
eGPATExample
(/) 1: Isobutane
Step 1: Here three types of protons are present. Viz. CH3-, CH2-, CH-
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11/25/2017 How to determine the number of peaks in proton NMR
eGPAT (/)
Here all protons are not equivalent and give different NMR signals.
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