Given the spectral data included in this problem and that the molecular formula is C4H5O2, determine the most likely structure using your understanding of carboxylic acid properties and spectroscopy. Indicate the following on each graph by: a.) labeling the IR spectrum with the relevant bond stretches, b.) indicating the relevant mass spectrum molecular ion and any relevant fragments, c.) providing a legible structure of the final product and name the compound.
Given the spectral data included in this problem and that the molecular formula is C4H5O2, determine the most likely structure using your understanding of carboxylic acid properties and spectroscopy. Indicate the following on each graph by: a.) labeling the IR spectrum with the relevant bond stretches, b.) indicating the relevant mass spectrum molecular ion and any relevant fragments, c.) providing a legible structure of the final product and name the compound.
Given the spectral data included in this problem and that the molecular formula is C4H5O2, determine the most likely structure using your understanding of carboxylic acid properties and spectroscopy. Indicate the following on each graph by: a.) labeling the IR spectrum with the relevant bond stretches, b.) indicating the relevant mass spectrum molecular ion and any relevant fragments, c.) providing a legible structure of the final product and name the compound.
Given the spectral data included in this problem and that the molecular formula is C4H5O2, determine the most likely structure using your understanding of carboxylic acid properties and spectroscopy. Indicate the following on each graph by: a.) labeling the IR spectrum with the relevant bond stretches, b.) indicating the relevant mass spectrum molecular ion and any relevant fragments, c.) providing a legible structure of the final product and name the compound.
Transcribed Image Text:### 1H-NMR Spectrum Analysis
The 1H-NMR spectrum for an unknown compound is presented. This spectrum displays several peaks corresponding to different hydrogen environments within the molecule.
#### Key Assignments and Chemical Shifts:
- **A**: 12.1 ppm
- **B**: 2.766 ppm
- **C**: 1.91 ppm (*1 integration)
- **D**: 1.84 ppm (*1 integration)
- **E**: 1.716 ppm (*2 integrations)
- **F**: 1.597 ppm (*2 integrations)
*Note*: Integrations indicated by an asterisk (*) represent the relative number of hydrogen atoms giving rise to each signal.
### 13C-NMR Spectrum Analysis
The 13C-NMR spectrum of the same unknown compound is provided, showing distinct, non-overlapping peaks. This indicates different carbon environments within the molecule. The peaks are well-resolved, aiding in structural elucidation.
#### Observation:
- The spectrum displays peaks across a range from 0 to 200 ppm, typical for various carbon types, including quaternary, tertiary, secondary, and primary carbons.
Transcribed Image Text:### Mass Spectrum for Unknown
The mass spectrum graph displays the mass-to-charge ratio (\(m/z\)) on the x-axis and the relative intensity on the y-axis. The peaks represent the masses of different ionized fragments of the unknown compound. Key features include:
- A series of smaller peaks at lower \(m/z\) values, indicating lighter fragments.
- A prominent peak around \(m/z = 75\), which suggests a major fragment or possibly the molecular ion peak.
- Various peaks below this value that help identify fragment patterns for structural analysis.
### IR Spectrum for Unknown
The infrared (IR) spectrum graph shows the transmittance percentage on the y-axis and the wavenumber in cm\(^{-1}\) on the x-axis. This spectrum provides information about the functional groups present in the unknown compound. Key observations are:
- A broad absorption around 3400 cm\(^{-1}\), likely indicating O-H or N-H stretching.
- Strong absorptions near 1700 cm\(^{-1}\), characteristic of C=O stretching.
- Several peaks in the fingerprint region (below 1500 cm\(^{-1}\)), which are unique to the compound and helpful for detailed structural analysis.
Together, these spectroscopic techniques offer insights into the molecular structure of the unknown compound \(C_4H_8O_2\).
Definition Definition Class of organic compounds that contain a carboxyl group ( - COOH ) and has a general formula R - COOH or R - CO 2 H , where R refers to the alkyl, alkenyl, aryl, or other groups. They can undergo different chemical reactions, such as acid-base reactions, esterification, and oxidation. These are essential components of living organisms, playing important roles in metabolic processes, signaling, and as pharmaceuticals.
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