Question

138 PRACTICAL SPECTROSCOPY Compound 80 is a liquid (boiling point 212 C), that can be prepared by the reaction of Compound 79

1. What is the chemical formula of the unknown?

2. what is the mass of the unknown?

3. What is the HDI?

4. According to IR spectra, what functional groups are present?

5. What is the structure of the molecule?

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Answer #1

1. C9H10O2

2. 150.17 g/mol

3. Compound have no N and halogens so  HDI=(2xNc+2-NH)/2=((2x9)+(2-10))/2=5

4. Peak at 1700 cm-1 corresponds to C=O strech, and peaks at 1300 and 1100 corresponds to C-O strech. Thus the compound contains ester as functional group.

5) From IR we got the functional group present. Further structural elucidation was done using NMR spectroscopy and Mass spectrometry. The Structure and elucidational details are attached as JPEG  

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