Hey there! As a supplier of the compound with CAS: 71 - 36 - 3, which is 1 - Butanol, I'm super excited to chat about its spectroscopic characteristics. Let's dig right in!
Infrared (IR) Spectroscopy
Infrared spectroscopy is a go - to method for analyzing the functional groups in a compound. For 1 - Butanol, the IR spectrum shows some distinct peaks that tell us a lot about its structure.
The broad peak around 3200 - 3600 cm⁻¹ is due to the O - H stretching vibration of the hydroxyl group. This is a characteristic feature of alcohols. The hydrogen bonding in 1 - Butanol causes this peak to be broad. It's a clear sign that there's an alcohol group in the molecule.
There's also a peak around 2850 - 3000 cm⁻¹ which corresponds to the C - H stretching vibrations of the alkyl groups. In 1 - Butanol, the CH₂ and CH₃ groups contribute to these peaks. The C - O stretching vibration gives a peak around 1000 - 1200 cm⁻¹. This is an important peak as it helps confirm the presence of the alcohol functional group attached to the carbon chain.
Nuclear Magnetic Resonance (NMR) Spectroscopy
NMR spectroscopy is a powerful tool for determining the structure and connectivity of atoms in a molecule. Let's take a look at both ¹H NMR and ¹³C NMR for 1 - Butanol.
¹H NMR
In the ¹H NMR spectrum of 1 - Butanol, we can see several distinct signals. The hydroxyl proton (OH) usually shows up as a broad singlet. Its chemical shift can vary depending on the solvent and the extent of hydrogen bonding. It can be anywhere from 1 - 6 ppm.
The protons on the carbon adjacent to the hydroxyl group (CH₂ - OH) appear as a multiplet around 3 - 4 ppm. This is due to the coupling with the neighboring protons. The remaining alkyl protons in the CH₂ and CH₃ groups show up in the range of 0.5 - 2 ppm. The terminal CH₃ group gives a triplet, which is characteristic of a CH₃ group adjacent to a CH₂ group. The other CH₂ groups give multiplets due to coupling with their neighboring protons.
¹³C NMR
The ¹³C NMR spectrum of 1 - Butanol has four distinct signals corresponding to the four different carbon environments in the molecule. The carbon of the hydroxyl group (C - OH) has a chemical shift around 60 - 70 ppm. The other carbons in the alkyl chain have chemical shifts in the range of 10 - 30 ppm. The terminal CH₃ carbon has the lowest chemical shift.
Mass Spectrometry
Mass spectrometry helps us determine the molecular weight and the fragmentation pattern of a compound. For 1 - Butanol, the molecular ion peak (M⁺) has a m/z value of 74, which corresponds to the molecular weight of C₄H₁₀O.
The fragmentation pattern shows some characteristic peaks. One common fragmentation is the loss of a water molecule (H₂O) from the molecular ion, giving a peak at m/z = 56. This is a typical fragmentation for alcohols. Other peaks in the spectrum are due to the cleavage of the carbon - carbon bonds in the alkyl chain.
Now, 1 - Butanol has a wide range of applications. It's used in the production of esters, which are important in the fragrance and flavor industry. It's also a solvent in many industrial processes.
If you're in the market for high - quality 1 - Butanol, we're your go - to supplier. We offer products that meet strict quality standards. And if you're interested in other alcohol - related products, check out these links:
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We understand that different industries have different requirements. Whether you need 1 - Butanol for a small - scale research project or for large - scale industrial production, we can provide the right quantity and quality for you. If you're interested in discussing your procurement needs, don't hesitate to reach out. We're here to help you get the best product at a competitive price.
References
- Silverstein, R. M., Webster, F. X., & Kiemle, D. J. (2014). Spectrometric Identification of Organic Compounds. Wiley.
- Pavia, D. L., Lampman, G. M., Kriz, G. S., & Vyvyan, J. R. (2015). Introduction to Spectroscopy: A Guide for Students of Organic Chemistry. Cengage Learning.