6. Determine the structure of the following compound. Calculate the degrees of unsaturation Identify the relevant peaks in the IR Identify all the peaks in the ¹H NMP. Label each with the identity and a letter so that I can tell which hydrogen you are matching to the molecule. DU-(2-6+2)-(12) = 1 .2 a. b. C. d. C5H12O 1H 1H 100 3 |薄膜法 4500 PPM 2 2000 4H Wolp /cm1 6H 4300 // 0 330

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**Educational Resource: Compound Structure Determination**

**Task 6: Determine the Structure of the Following Compound**

**a. Calculate the Degrees of Unsaturation (DU):**

The formula for calculating degrees of unsaturation is:

\[ \text{DU} = \frac{(2C + 2 + N - H - X)}{2} \]

Where:
- \( C \) = number of carbons
- \( N \) = number of nitrogens
- \( H \) = number of hydrogens
- \( X \) = number of halogens

For the given compound \( C_5H_{12}O \):
\[ \text{DU} = \frac{(2 \times 5 + 2) - 12}{2} = 1 \]

**b. Identify the Relevant Peaks in the IR:**

The infrared (IR) spectrum shows a broad peak indicating the presence of an O-H group. The peak occurs at around 3300 cm\(^{-1}\), suggesting an alcohol functional group. This observation is marked on the graph with a red "OH" annotation.

**c. Identify All the Peaks in the \( ^1H \) NMR:**

The proton nuclear magnetic resonance (\(^1H\) NMR) spectrum shows several peaks:
- A singlet corresponding to 1 hydrogen (1H)
- A triplet integrating to 4 hydrogens (4H)
- A sextet integrating to 6 hydrogens (6H)

**d. Label Each Peak with the Identity and a Letter:**

- The 1H singlet can be attributed to one type of proton environment.
- The 4H triplet likely corresponds to protons adjacent to a group of CH2 protons.
- The 6H sextet corresponds to protons in another CH2 or CH3 group environment.

**Diagrams:**

1. **IR Spectrum**: Displays a broad O-H stretch around 3300 cm\(^{-1}\), characteristic of alcohols.
2. **\( ^1H \) NMR Spectrum**: Peaks are labelled based on integration, suggesting different hydrogen environments across the compound. 

These spectroscopic analyses aid in deducing the structure of the given compound \( C_5H_{12}O \).
Transcribed Image Text:**Educational Resource: Compound Structure Determination** **Task 6: Determine the Structure of the Following Compound** **a. Calculate the Degrees of Unsaturation (DU):** The formula for calculating degrees of unsaturation is: \[ \text{DU} = \frac{(2C + 2 + N - H - X)}{2} \] Where: - \( C \) = number of carbons - \( N \) = number of nitrogens - \( H \) = number of hydrogens - \( X \) = number of halogens For the given compound \( C_5H_{12}O \): \[ \text{DU} = \frac{(2 \times 5 + 2) - 12}{2} = 1 \] **b. Identify the Relevant Peaks in the IR:** The infrared (IR) spectrum shows a broad peak indicating the presence of an O-H group. The peak occurs at around 3300 cm\(^{-1}\), suggesting an alcohol functional group. This observation is marked on the graph with a red "OH" annotation. **c. Identify All the Peaks in the \( ^1H \) NMR:** The proton nuclear magnetic resonance (\(^1H\) NMR) spectrum shows several peaks: - A singlet corresponding to 1 hydrogen (1H) - A triplet integrating to 4 hydrogens (4H) - A sextet integrating to 6 hydrogens (6H) **d. Label Each Peak with the Identity and a Letter:** - The 1H singlet can be attributed to one type of proton environment. - The 4H triplet likely corresponds to protons adjacent to a group of CH2 protons. - The 6H sextet corresponds to protons in another CH2 or CH3 group environment. **Diagrams:** 1. **IR Spectrum**: Displays a broad O-H stretch around 3300 cm\(^{-1}\), characteristic of alcohols. 2. **\( ^1H \) NMR Spectrum**: Peaks are labelled based on integration, suggesting different hydrogen environments across the compound. These spectroscopic analyses aid in deducing the structure of the given compound \( C_5H_{12}O \).
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