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From the spectral data, identify the structure of the ester product. The molecular formula fro the ester is C6H12O2 and it has a mass of 116 amu.

From the spectral data, identify the structure of the ester product. The molecular formula fro the ester is C6H12O2 and it has a mass of 116 amu.

Chemistry
Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
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From the spectral data, identify the structure of the ester product. The molecular formula fro the ester is C6H12O2 and it has a mass of 116 amu.

 

### NMR Spectrum Analysis of an Ester from Alcohol D **Solvent and Instrument Settings:** - Solvent: CDCl₃ - Frequency: 100 MHz **Chemical Structure:** The image shows the molecular structure of an ester, with the formula: \[ \text{CH}_3\text{COOCH}_2\text{CH}_3 \] **NMR Spectrum:** The x-axis represents the chemical shift in parts per million (ppm), ranging from 180 to 20 ppm. Peaks are observable at specific ppm values indicating different types of hydrogen environments. **Peak Analysis:** 1. **Peak at 171.24 ppm**: Likely corresponds to the carbonyl carbon (C=O) in the ester, a common shift for carbonyl groups. 2. **Peak at 77.0 ppm (CDCl₃ solvent peak)**: Reference peak due to the deuterated chloroform solvent used in the sample. 3. **Peak #2 at 68 ppm**: Likely corresponds to the oxygen-bonded carbon, as seen in esters. 4. **Peak #3 at 21 ppm**: This peak indicates the methyl group adjacent to the carbonyl carbon. 5. **Peak #4 at 20.99 ppm**: Another methyl group, slightly shifted, possibly indicating different neighboring environments. This analysis helps in confirming the structure and identity of the ester synthesized from Alcohol D, by comparing typical chemical shift values for specific carbon environments within the ester compound.
Transcribed Image Text:### NMR Spectrum Analysis of an Ester from Alcohol D **Solvent and Instrument Settings:** - Solvent: CDCl₃ - Frequency: 100 MHz **Chemical Structure:** The image shows the molecular structure of an ester, with the formula: \[ \text{CH}_3\text{COOCH}_2\text{CH}_3 \] **NMR Spectrum:** The x-axis represents the chemical shift in parts per million (ppm), ranging from 180 to 20 ppm. Peaks are observable at specific ppm values indicating different types of hydrogen environments. **Peak Analysis:** 1. **Peak at 171.24 ppm**: Likely corresponds to the carbonyl carbon (C=O) in the ester, a common shift for carbonyl groups. 2. **Peak at 77.0 ppm (CDCl₃ solvent peak)**: Reference peak due to the deuterated chloroform solvent used in the sample. 3. **Peak #2 at 68 ppm**: Likely corresponds to the oxygen-bonded carbon, as seen in esters. 4. **Peak #3 at 21 ppm**: This peak indicates the methyl group adjacent to the carbonyl carbon. 5. **Peak #4 at 20.99 ppm**: Another methyl group, slightly shifted, possibly indicating different neighboring environments. This analysis helps in confirming the structure and identity of the ester synthesized from Alcohol D, by comparing typical chemical shift values for specific carbon environments within the ester compound.
### Ester from Alcohol D: NMR Spectrum **Solvent**: CDCl₃ **Frequency**: 400 MHz This is a Proton Nuclear Magnetic Resonance (¹H NMR) spectrum of an ester derived from alcohol D. The spectrum is acquired using CDCl₃ as the solvent at a frequency of 400 MHz. #### Key Features of the Spectrum: 1. **Chemical Shifts (ppm):** The x-axis represents the chemical shift in parts per million (ppm), which provides information about the hydrogen environment in the compound. 2. **Multiplet Patterns:** - **Doublet** at approximately 3.8 ppm. - **Singlet** around 2.0 ppm. - **Quintet** near 1.5 ppm. - **Doublet** observed at around 1.2 ppm. 3. **Integration:** The peak areas can be used to determine the relative number of protons corresponding to each signal. 4. **Coupling Constants (Hz):** The spacing between peaks in multiplets (e.g., doublets and quintets) indicates the coupling constant, revealing the relationship between neighboring hydrogen atoms. #### Conclusion: This NMR spectrum provides essential insights into the structure and environment of hydrogen atoms in the ester, which aids in confirming the molecular structure and connectivity of the compound.
Transcribed Image Text:### Ester from Alcohol D: NMR Spectrum **Solvent**: CDCl₃ **Frequency**: 400 MHz This is a Proton Nuclear Magnetic Resonance (¹H NMR) spectrum of an ester derived from alcohol D. The spectrum is acquired using CDCl₃ as the solvent at a frequency of 400 MHz. #### Key Features of the Spectrum: 1. **Chemical Shifts (ppm):** The x-axis represents the chemical shift in parts per million (ppm), which provides information about the hydrogen environment in the compound. 2. **Multiplet Patterns:** - **Doublet** at approximately 3.8 ppm. - **Singlet** around 2.0 ppm. - **Quintet** near 1.5 ppm. - **Doublet** observed at around 1.2 ppm. 3. **Integration:** The peak areas can be used to determine the relative number of protons corresponding to each signal. 4. **Coupling Constants (Hz):** The spacing between peaks in multiplets (e.g., doublets and quintets) indicates the coupling constant, revealing the relationship between neighboring hydrogen atoms. #### Conclusion: This NMR spectrum provides essential insights into the structure and environment of hydrogen atoms in the ester, which aids in confirming the molecular structure and connectivity of the compound.
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