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July 17, 2013

NMR

The spectrum of NMR is characterized by four factors:
1. How many signals are present in the spectrum?
2. What is the position of the signal?
3. What is the area present under the signal?
4. Into how many lines the signal has spitted?
The number of signals present in the spectrum show tells about how many different kinds of hydrogen atoms are present. For a repetitive hydrogen atom in a particular magnetic arrangement, there is only one signal. There will be no signal generated for a non-hydrogen atom.
The position of the signal, determined on the x-axis, represent the chemical shift. Chemical shift is a very important element to predict the group of the compound.
The information gathered from NMR can contribute in predicting the exact compound or the group of the compound. The analysis below is conducted to determine the given compound from the NMR spectrum.

Analysis of the NMR:
• There are three signals present in the observed NMR, which means that there are three kinds of hydrogen atoms in three different magnetic arrangements.
• The chemical shift (position) of one signal lies in the range >4ppm and rest two signals lie within the range 4ppm range shows that it is a hydrogen atom which is bonded to an electronegative atom and • The integration ration i.e. further confirms the conclusion that the compound is an aromatic hydrocarbon.
• The H-NMR spectroscopy figure shows that the compound has One singlet, One doublet and One triplet.

Identification of Compound:
On the basis of the above analysis, the identification of the compound can be done. The compound is BENZALDEHYDE. We can say so because one ‘H’ [Ha] is attached to the electronegative oxygen atom. A further explanation is as follows:

Hb signal is split by Ha and forms a triplet. As two Hb are at the same locant, there will be only one triplet occurring here. Hc signal is split by Ha and forms a doublet. This gives us two Hc at the same locant and we get only one doublet. Hd singlet is not split by Ha, this gives us one singlet.

Conclusion
From the above analysis it can be concluded that the compound is an aromatic hydrocarbon with an electronegative attached to it. Therefore, it is BENZALDEHYDE.

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