NMR Structure Elucidation Problems For each problem use the data provided to predict the structure. Draw the structure and briefly describe how you arrived at your answer. You may not need all data provided. HINT: Calculating degree of unsaturation may prove useful!!! 1. Molecular Formula: C4H8O2 1 HNMR in CDCl3: Integration values provided next to each expanded peak. 13 CNMR in CDCl3: 2 3 3
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NMR Structure Elucidation Problems
For each problem use the data provided to predict the structure. Draw the structure and briefly
describe how you arrived at your answer. You may not need all data provided.
HINT: Calculating degree of unsaturation may prove useful!!!
1. Molecular Formula: C4H8O2
1HNMR in CDCl3: Integration values provided next to each expanded peak.
13CNMR in CDCl3:
2
3 3
2.
Molecular Formula: C3H5BrO2 MW = 152
IR
1HNMR
13CNMR
Mass Spec Positive Ion
3. Molecular Formula: C10H12O MW = 148
IR
1HNMR
Positive EI Mass Spectrum
13CNMR
4. Molecular Formula: C5H8O MW = 84
IR
1HNMR
13CNMR
Mass Spec Positive Ion
5. Molecular Formula: C9H13NO MW = 151
IR
1HNMR
13CNMR
Mass Spec Positive Ion
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