Proton NMR & Integration Values

In summary, the conversation discusses the identification of an organic "mystery compound" with a molecular mass of ~130 amu and at least one -OH group. The proposed empirical formula of C8H18O fits the profile, but no isomers can be found that match the proton NMR data, which shows integration values of 1:2:2:3:10. There is confusion about the 10 identical hydrogens and whether the NMR data includes j-splitting information. Additionally, there is discussion about the chemical shifts corresponding to the 1:2:2:3:10 pattern.
  • #1
paradigm
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I am attempting to identify an organic "mystery compound." Having run both IR and mass spectrometry, I conjecture that the compound has a molecular mass of ~130 amu and possesses at least one -OH group. C8H18O fits this profile nicely, but no isomers of which I can conceive are commensurate with the proton NMR data, which yields the following integration values: 1:2:2:3:10. Once again, this corroborates the proposed empirical formula, but what sort of structural configuration gives 10 identical hydrogens??
 
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  • #2
9 would be obvious, no idea for 10.

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  • #3
Does you NMR data include j-splitting information? Is that 10-proton region split into a mess of peaks? What are the chemical shifts that correspond to the 1:2:2:3:10 pattern?
 

1. What is Proton NMR?

Proton Nuclear Magnetic Resonance (NMR) is a spectroscopic technique used to analyze the structure and composition of molecules by observing the behavior of the nuclei of hydrogen atoms in a magnetic field.

2. How does Proton NMR work?

Proton NMR works by exposing a sample containing hydrogen atoms to a strong magnetic field and then applying a radiofrequency pulse. This causes the hydrogen atoms to align with the magnetic field. The atoms then emit energy as they return to their original state, which can be detected and analyzed to determine the chemical environment of the hydrogen atoms.

3. What are integration values in Proton NMR?

Integration values in Proton NMR refer to the relative area under the peaks on the NMR spectrum. It provides information about the number of hydrogen atoms in a particular chemical environment in a molecule, which can be used to determine the molecular formula.

4. How are integration values calculated?

Integration values are calculated by dividing the area under each peak by the total area under all peaks in the spectrum. This gives a ratio that can be compared to the number of hydrogen atoms in the molecule to determine the integration value for each peak.

5. What are the applications of Proton NMR?

Proton NMR has many applications in chemistry, biochemistry, and pharmaceuticals. It is commonly used to determine the structure and purity of organic compounds, identify unknown compounds, and study the kinetics of chemical reactions. It is also used in medical imaging techniques such as magnetic resonance imaging (MRI).

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