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Propose a structure that is consistent with the following spectra.

Propose a structure that is consistent with the following spectra.

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
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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## Spectral Analysis and Structure Proposal ### Mass Spectrum - The mass spectrum displays a prominent peak at \(m/z \approx 117\), indicating a molecular ion with a relative molecular mass (M\(^+\)) of 117. - There are several smaller peaks at lower masses which represent fragment ions, providing insights into the possible structural components of the molecule. ### \( ^{13}C \) NMR Spectrum - The \(^{13}C \) NMR spectrum shows several peaks. The chemical shifts (in ppm) help identify different carbon environments in the molecule. - The peaks range from 200 to 0 ppm, with significant signals around the aliphatic and aromatic regions, indicating a likely presence of various functional groups. ### Infrared (IR) Spectrum - The IR spectrum exhibits multiple absorption bands across a range of wavelengths. - Key absorption peaks in the 4000-400 cm\(^-1\) region indicate the presence of specific functional groups, such as: - Broad O-H stretch around 3300 cm\(^-1\). - C=O stretch near 1700 cm\(^-1\). - C-H stretches in the region of 2900 - 3000 cm\(^-1\). - Various bending vibrations in lower wave number regions. ### \( ^1H \) NMR Spectrum - The \( ^1H \) NMR spectrum shows multiple peaks indicating different hydrogen environments: - A singlet at around 1 ppm representing 9H. - A triplet at around 2 ppm representing 2H. - Another triplet at around 3 ppm representing 2H. - Singlets at roughly 5-6 ppm representing 1H each. ### Conclusion By analyzing the mass spectrum, \( ^{13}C \) NMR, IR spectrum and \( ^1H \) NMR data, a comprehensive structural proposal for the molecule can be developed. Each spectrum provides unique and complementary information that helps piece together the molecular structure accurately. The molecular ion peak and fragment ions from mass spectrometry, combined with functional group identification through IR and detailed environment analysis from \( ^{13}C \) and \( ^1H \) NMR spectroscopies, can be used to propose a consistent molecular structure. ### Proposed Structure Considering the spectral data, the proposed structure should include: - Aromatic rings (based
Transcribed Image Text:## Spectral Analysis and Structure Proposal ### Mass Spectrum - The mass spectrum displays a prominent peak at \(m/z \approx 117\), indicating a molecular ion with a relative molecular mass (M\(^+\)) of 117. - There are several smaller peaks at lower masses which represent fragment ions, providing insights into the possible structural components of the molecule. ### \( ^{13}C \) NMR Spectrum - The \(^{13}C \) NMR spectrum shows several peaks. The chemical shifts (in ppm) help identify different carbon environments in the molecule. - The peaks range from 200 to 0 ppm, with significant signals around the aliphatic and aromatic regions, indicating a likely presence of various functional groups. ### Infrared (IR) Spectrum - The IR spectrum exhibits multiple absorption bands across a range of wavelengths. - Key absorption peaks in the 4000-400 cm\(^-1\) region indicate the presence of specific functional groups, such as: - Broad O-H stretch around 3300 cm\(^-1\). - C=O stretch near 1700 cm\(^-1\). - C-H stretches in the region of 2900 - 3000 cm\(^-1\). - Various bending vibrations in lower wave number regions. ### \( ^1H \) NMR Spectrum - The \( ^1H \) NMR spectrum shows multiple peaks indicating different hydrogen environments: - A singlet at around 1 ppm representing 9H. - A triplet at around 2 ppm representing 2H. - Another triplet at around 3 ppm representing 2H. - Singlets at roughly 5-6 ppm representing 1H each. ### Conclusion By analyzing the mass spectrum, \( ^{13}C \) NMR, IR spectrum and \( ^1H \) NMR data, a comprehensive structural proposal for the molecule can be developed. Each spectrum provides unique and complementary information that helps piece together the molecular structure accurately. The molecular ion peak and fragment ions from mass spectrometry, combined with functional group identification through IR and detailed environment analysis from \( ^{13}C \) and \( ^1H \) NMR spectroscopies, can be used to propose a consistent molecular structure. ### Proposed Structure Considering the spectral data, the proposed structure should include: - Aromatic rings (based
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