TAMSIFIANCE 20 solid sample KBr pellet 4000 3586 Copyright © 1994 AH 11.6. PPK Proton NMR 180 108月 3202 Ī 160 Carbon 13 NHR 341 1612 1516062 2500 WAVENNERS 120 20 100 2H mu 201 BBCT m3.st |11111 M'INI ceivesterote 1209 2H 卷 2.5.PN 福 [TEXT-FFFF] 20 PPH. MF CH BrOz MW 153 %C23.6 CH33 % Br S22 Mass Spec. Data relative m/z abund. 亚运可能才請出版社局 0888=7082AAA

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Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
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. Calculation of HDI for each compound show work . Label and assign all the functional groups in the diagnostic region of the IR . Label and assign all protons in the NMR on your drawing ( clearly annotate each set of chemically non equivalent protons on your proposed structure and assign their signal on the 1H-NMR spectrum. .what lead to the proposed structure using the HDI,IR AND 1-H-NMR data provided
**Spectral Analysis of C₆H₆BrO₂**

**Molecular Formula:** C₆H₆BrO₂  
**Molecular Weight (MW):** 153  
**Percentage Composition:**  
- Carbon (%C): 23.6  
- Hydrogen (%H): 3.3  
- Bromine (%Br): 52.2  

**Mass Spectrometry Data:**  
The table below shows the m/z (mass-to-charge ratio) values with corresponding relative abundances:

| m/z  | Relative Abundance (%) |
|------|------------------------|
| 27   | 78                     |
| 30   | 28                     |
| 39   | 3                      |
| 41   | 4                      |
| 42   | 7                      |
| 73   | 100                    |
| 80   | 3                      |
| 107  | 2                      |
| 109  | 27                     |
| 119  | 15                     |
| 151  | 22                     |
| 152  | 5                      |
| 154  | 27                     |

**Infrared Spectroscopy (IR):**  
The IR spectrum is represented by a graph plotting transmittance (%) against wavenumbers (cm⁻¹). 

- Notable peaks are observed at approximately:
  - 2985 and 2865 cm⁻¹, indicating C-H stretching vibrations.
  - 1744 cm⁻¹, suggesting the presence of a C=O stretching vibration.
  - Several peaks in the fingerprint region (below 1500 cm⁻¹), which may correspond to various C-H bending and C-Br stretching vibrations.

**Proton NMR (¹H NMR):**  
The spectrum shows signals in the following regions indicating the chemical environment of protons:

- A peak at 11.6 ppm, likely indicating the presence of a carboxylic acid proton.

**Carbon-13 NMR (¹³C NMR):**  
The spectrum features signals which indicate the types of carbon environments in the molecule:

- Peaks observed in the region from 0 to 180 ppm. They provide information on the different functional groups present in the molecule.

This integrated analysis provides insights into the structural and chemical properties of the compound C₆H₆BrO₂.
Transcribed Image Text:**Spectral Analysis of C₆H₆BrO₂** **Molecular Formula:** C₆H₆BrO₂ **Molecular Weight (MW):** 153 **Percentage Composition:** - Carbon (%C): 23.6 - Hydrogen (%H): 3.3 - Bromine (%Br): 52.2 **Mass Spectrometry Data:** The table below shows the m/z (mass-to-charge ratio) values with corresponding relative abundances: | m/z | Relative Abundance (%) | |------|------------------------| | 27 | 78 | | 30 | 28 | | 39 | 3 | | 41 | 4 | | 42 | 7 | | 73 | 100 | | 80 | 3 | | 107 | 2 | | 109 | 27 | | 119 | 15 | | 151 | 22 | | 152 | 5 | | 154 | 27 | **Infrared Spectroscopy (IR):** The IR spectrum is represented by a graph plotting transmittance (%) against wavenumbers (cm⁻¹). - Notable peaks are observed at approximately: - 2985 and 2865 cm⁻¹, indicating C-H stretching vibrations. - 1744 cm⁻¹, suggesting the presence of a C=O stretching vibration. - Several peaks in the fingerprint region (below 1500 cm⁻¹), which may correspond to various C-H bending and C-Br stretching vibrations. **Proton NMR (¹H NMR):** The spectrum shows signals in the following regions indicating the chemical environment of protons: - A peak at 11.6 ppm, likely indicating the presence of a carboxylic acid proton. **Carbon-13 NMR (¹³C NMR):** The spectrum features signals which indicate the types of carbon environments in the molecule: - Peaks observed in the region from 0 to 180 ppm. They provide information on the different functional groups present in the molecule. This integrated analysis provides insights into the structural and chemical properties of the compound C₆H₆BrO₂.
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