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Compound Analysis: NMR & IR Spectra Insights

The document provides detailed analyses of six chemical compounds, including their molecular formulas, weights, degrees of unsaturation, IR spectra, and NMR analyses. Each compound is identified with its corresponding structure, such as 1,6-Dichlorohexane, 1-Penten, 2-Phenylethanol, 2-Butanone, Ethylbenzene, and p-Xylene. The analyses highlight the presence of functional groups and structural characteristics of each compound.

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10 views7 pages

Compound Analysis: NMR & IR Spectra Insights

The document provides detailed analyses of six chemical compounds, including their molecular formulas, weights, degrees of unsaturation, IR spectra, and NMR analyses. Each compound is identified with its corresponding structure, such as 1,6-Dichlorohexane, 1-Penten, 2-Phenylethanol, 2-Butanone, Ethylbenzene, and p-Xylene. The analyses highlight the presence of functional groups and structural characteristics of each compound.

Uploaded by

abaynehnuhamin072
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Tab 1

Compound #1:
- molecular formula C6H12Cl2
- molecular weight 155
- IR spectrum provided
-H Spectrum provided with integrals

1 Degree of Unsaturation (DoU):

IHD = 0
This is a saturated open-chain alkane with two chlorine atoms.
. 2 interpretation

/ no rings
/ no double bondes
/ the compound is fully saturated

3 NMR Analysis:

The spectrum shows high symmetry.


There are three signals, each integrating to 1H (ratio 1:1:1)1. This indicates the 12 protons
are divided into three groups of 4H each.3.5 ppm (4H, quintet): CH-Cl groups.1.7 ppm (4H,
m) and 1.4 ppm (4H, m): Internal CH_2 groups.

Structure:1,6-Dichlorohexane.

Compound #2:

/ molecular formula C5H10


/molecular weight 70
/ IR spectrum alkene type absorptions
/ HNMR one singel integrating to 3H

1 DoU [DEGREE OF UNSATURATION]


DU =1

[compound contains one double bond or a ring.;]

2 IR Analysis:

Peaksat Visible
/ 3080cm = C-H and 1641 C=C
/ Terminal alkene peaks at 991and 910cm

3 NMR Analysis

, single integrating to 3H-CH3 group


. Remaining protons consistent with alkene CH and CH2
. simple splitting straight chain alkene

Structure:1-Penten

🔹 COMPOUND #3
Given data
Molecular formula: C₉H₁₂O
Molecular weight: 136
IR spectrum: Broad O–H, aromatic signals
¹H NMR: 5H and 2H signals

1
1️⃣ 1 Degree of Unsaturation (DU)
DU = 4 → benzene ring
2️⃣IR Interpretation
Key absorptions:
3200–3600 cm⁻¹ (broad) → O–H (alcohol)
~1600 & 1500 cm⁻¹ → aromatic C=C
~750–700 cm⁻¹ → monosubstituted benzene
~1050 cm⁻¹ → C–O stretch

✅ IR Conclusion
Aromatic ring present
Alcohol group present

3️⃣¹H NMR Interpretation


5H → monosubstituted benzene ring
2H → benzylic –CH₂–
Remaining protons consistent with –CH₂–CH₂–OH

4️⃣Final Structure for Compound #3


🎯 2-Phenylethanol (Phenethyl alcohol) C₆H₅–CH₂–CH₂–OH
The compound is identified as 2-phenylethanol.

🔹 COMPOUND #4
Given data
Molecular formula: C₄H₈O
Molecular weight: 72
1️⃣Degree of Unsaturation (DU)
➡ One double bond or one ring

2️⃣IR Interpretation
Key IR peaks:
~1715 cm⁻¹ → C=O (carbonyl)
No broad peak at 3300–3600 cm⁻¹ → ❌ no alcohol
~2850–2960 cm⁻¹ → alkyl C–H
✅ Carbonyl present → aldehyde or ketone

3️⃣¹H NMR Interpretation


3H → CH₃ group
2H → CH₂ group
No aldehydic proton (~9–10 ppm) shown
➡ Carbonyl must be ketone, not aldehyde

🎯 2-Butanone (Methyl ethyl ketone)


Structure:

CH₃–CO–CH₂–CH₃

🔹 COMPOUND #5
Given data
Molecular formula: C₁₀H₁₄
Molecular weight: 134
1️⃣Degree of Unsaturation (DU)
➡ Aromatic ring likely

2️⃣IR Interpretation
Key IR peaks:
~1600 & 1500 cm⁻¹ → aromatic C=C
~750–700 cm⁻¹ → monosubstituted benzene
No C=O or O–H

3️⃣¹H NMR Interpretation


5H → monosubstituted benzene ring
3H → CH₃ group
Remaining protons consistent with alkyl substituent
🎯 Ethylbenzene
Structure C₆H₅–CH₂–CH₃

Compound #6
Molecular formula: C₁₀H₁₄
Degree of unsaturation: 4
IR: Aromatic absorptions
¹H NMR: Two equivalent CH₃ groups (3H + 3H), symmetric aromatic pattern
✅ Identified structure:
p-Xylene (1,4-Dimethylbenzene)

CH₃–C₆H₄–

NUHAMIN ANAYNEH TADESSE


ID 766322
SUB DATE 12/4/2018
SUB TO MR ERMIYAS
Tab 2

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