Molecular Formula C6h2o2

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Discussion By analyzing the results and data from the spectra above, the structure of the molecular formula C6H12O2 can be established. The first step toward identifying the structure of an unknown compound is to calculate the degree of unsaturation, and in this case it was calculated to be 1. Since there was only 1 degree of unsaturation, a C=O bond or a C=C bond was immediately predicted, and this prediction was tested by analyzing the IR spectrum. Because there was a peak at 1742 cm-1, it was determined that the 1 degree of unsaturation was due to a C=O bond. Also, the peaks on the IR only show readings at 2983 cm-1, which denote Csp3-H bonds, and no peaks designating Csp2-H bonds. The last key functional group exhibited in the IR spectrum was a C-O stretch at 1242 cm-1. These findings allowed me to realize the functional groups in the molecule but left me with no information regarding how the molecule was connected. After the functional groups are determined from the IR spectrum, 1H-NMR should be used so that clues to the connectivity of the molecule can be uncovered. After analyzing the data from…show more content…
The molecular weight of C6H12O2 is 116 g/mol. If the fragments labeled as A, B, and C in Figure 6 were removed from the molecule, the resulting molecular weight would be 73 g/mol which coincides with the data presented in Table 4. Similarly, if every fragment except for the carbonyl group were removed from the molecule, the resulting molecular weight would be 43 g/mol. This molecular weight corresponds with the data exhibited in Table 4. After careful examination of each spectra, the molecular structure in Figure 1 was confirmed to be correct. Without utilizing each of the spectra, certain aspects of the molecular structure cannot be predicted. When all of the spectra are observed together and in a correct manner, the accurate molecular formula can be found
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