Nuclear Magnetic Resonance (NMR)

11.

NMR Applications and Problem Solving

11.1.

Structure Elucidation Strategies

11.1.1.

Systematic Approach

11.1.1.1.

Molecular Formula Determination

11.1.1.2.

Functional Group Identification

11.1.1.3.

Connectivity Analysis

11.1.1.4.

Stereochemical Assignment

11.1.2.

Integration of Techniques

11.1.2.1.

1D and 2D NMR Combination

11.1.2.2.

Multinuclear Approaches

11.1.2.3.

Complementary Methods

11.1.3.

Database and Literature Searching

11.1.3.1.

Spectral Databases

11.1.3.2.

Chemical Shift Prediction

11.1.3.3.

Literature Precedents

11.2.

Mixture Analysis

11.2.1.

Component Identification

11.2.1.1.

Peak Assignment

11.2.1.2.

Integration Analysis

11.2.1.3.

Selective Experiments

11.2.2.

Quantitative Analysis

11.2.2.1.

Internal Standards

11.2.2.2.

Calibration Curves

11.2.2.3.

Method Validation

11.2.3.

Dynamic Mixtures

11.2.3.1.

Exchange Processes

11.2.3.2.

Equilibrium Studies

11.2.3.3.

Kinetic Analysis

11.3.

Purity Assessment

11.3.1.

Impurity Detection

11.3.1.1.

Sensitivity Limits

11.3.1.2.

Identification Strategies

11.3.1.3.

Quantification Methods

11.3.2.

Water Content Determination

11.3.2.1.

Karl Fischer Comparison

11.3.2.2.

Integration Methods

11.3.2.3.

Solvent Effects

11.3.3.

Residual Solvents

11.3.3.1.

11.3.3.2.

Quantitative Methods

11.3.3.3.

Method Development

11.4.

Reaction Monitoring

11.4.1.

11.4.1.1.

11.4.1.2.

In-Situ Monitoring

11.4.1.3.

Kinetic Studies

11.4.2.

Mechanistic Studies

11.4.2.1.

Intermediate Detection

11.4.2.2.

Pathway Elucidation

11.4.2.3.

Catalyst Studies

11.4.3.

Optimization Studies

11.4.3.1.

Reaction Conditions

11.4.3.2.

Yield Determination

11.4.3.3.

Side Product Analysis

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10. Specialized NMR Techniques

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12. Magnetic Resonance Imaging (MRI)