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| Preface | |
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| Using Spectroscopic Data In Organic Structure Analysis | |
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| A Glimpse of the Methods in Common Use | |
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| Characteristics of the Methods in Common Use | |
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| Steps in Establishing a Molecular Structure | |
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| Molecular Formula (MF) and Unsaturation Number (UN) | |
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| Substructures, Working Structures, and Final Structures | |
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| Limitations of Spectroscopic Data in Structure Analysis | |
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| Introduction To Nuclear Magnetic Resonance | |
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| A Glimpse of the NMR Phenomenon | |
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| Commonly Studied Nuclei | |
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| Obtaining an NMR Spectrum | |
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| Magnetic Shielding | |
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| Relaxation Effects | |
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| Effect of Relaxation and NOE on Peak Intensities | |
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| Electric Quadrupole Effects | |
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| Measurement and Presentation of Data | |
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| Sample Preparation and Sample Size | |
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| Common Impurities in NMR Spectra | |
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| Other Useful Nuclei | |
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| Interpretation And Use Of Proton And Carbon Chemical Shifts | |
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| A Glimpse of Chemical Shifts and Peak Areas | |
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| Terms and Conventions | |
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| Factors That Determine Chemical Shifts | |
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| Chemical Shift Positions of 1H/13C Attached to Common Functional Groups | |
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| Chemical Shift Equivalence | |
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| Characteristic Chemical Shifts for Different Protons and Carbons | |
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| Using Databases to Estimate 13C NMR Chemical Shifts | |
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| Making Configurational Assignments Based on Chemical Shifts: Case Examples | |
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| Interpretation And Use Of Proton And Carbon Coupling Constants | |
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| A Glimpse of Coupling Constants | |
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| First-Order Spectra and the n + 1 Rule | |
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| Terms and Conventions | |
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| Common Coupled Spin Systems | |
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| Magnetic Nonequivalence | |
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| Using Coupling Constants to Understand the Appearance of Spectra and Make Assignments | |
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| Coupling Constant Values for Different Carbon and Proton Types | |
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| Using Coupling Constants to Make Configurational Assignments | |
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| Ways to Simplify or Eliminate Coupling Effects | |
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| The Nuclear Overhauser effect | |
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| Additional Ways to Obtain J Values | |
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| Multiple-Pulse And Multidimensional Nmr Techniques | |
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| A Glimpse of Multiple-Pulse NMR Methods | |
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| Elements of Multiple-Pulse NMR | |
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| One-Dimensional NMR Techniques | |
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| Two-Dimensional NMR Techniques | |
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| Using Two-Dimensional NMR in Assigning Spectra | |
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| Using Two-Dimensional NMR Data to Determine an Unknown Structure | |
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| Strategies for Using 2D NMR in Structure Determination | |
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| Use of NOESY and ROESY to Determine Relative Stereochemistry and Conformations | |
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| Specialized Pulse Sequences | |
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| Configurational Analysis Based on Coupling Constants: Experimental Measurement of 2.3 JCH | |
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| Computer-Assisted Structure Elucidation | |
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| Future Prospects in Multidimensional NMR | |
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| Mass Spectrometry: Core Techniques And Ionization Processes | |
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| A Glimpse of Mass Spectrometry | |
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| Measurement, Presentation of Data, and Nomenclature | |
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| Isotopes, Atomic Composition, Molecular Formulas, and Ionic Mass: Low and High Resolution and Measurements | |
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| Different Ionization Techniques in Mass Spectrometry | |
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| Different Techniques for Analyzing Ions in Mass Spectrometry | |
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| Detectors in Mass Spectrometry | |
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| Hyphenated Mass Spectrometry | |
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| Tandem Mass Spectrometry | |
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| Future Prospects | |
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| Mass Spectrometry Analysis Of Small And Large Molecules | |
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| A Glimpse of Molecular Ions Revisited | |
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| Small-Molecule Mass Spectral Analysis | |
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| Large-Molecule Mass Spectrometry | |
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| Future Prospects | |
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| Fragmentation Processes In Electron Ionization Mass Spectrometry | |
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| A Glimpse of Fragmentation in Mass Spectrometry | |
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| Interpreting a Low Resolution Electron Ionization Mass Spectrum | |
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| Fragmentation Processes | |
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| Identification of Functionality from Fragmentation Processes | |
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| Schematic Approach for the Interpretation of an EIMS | |
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| Infrared Spectroscopy | |
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| A Glimpse of Infrared Spectroscopy | |
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| Measurement and Presentation of Data | |
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| The Fundamentals | |
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| Identifying Functional Groups | |
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| Interpreted Infrared Spectra | |
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| Use of Infrared Databases | |
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| Optical And Chiroptical Techniques: Ultraviolet Spectroscopy | |
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| A Glimpse of Ultraviolet Spectroscopy | |
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| Measurement and Presentation of Data | |
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| The Fundamentals for Interpreting Spectra | |
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| Identifying Functional Groups | |
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| Theoretical Simulations of UV Spectra | |
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| The Behavior of Chiral Chromophores ORD/CD | |
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| The Exciton Chirality Method | |
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| Other Ways to Examine Chiral Chromophores | |
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| Strategies Of Determining Structure And Stereochemistry: Spectroscopic Data Translated Into Structures | |
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| A Glimpse of the Combined Use of Spectroscopic Data | |
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| The Strategies of Determining Structure and Stereochemistry | |
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| Dereplication Strategies | |
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| Worked Examples of Deriving Structures from Spectroscopic Data | |
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| Problems In Organic Structure Analysis | |
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| A Glimpse of the Scope of the 51 Unknowns | |
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| Using the Spectra, Accompanying Information, and Other Resources | |
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| Appendices | |
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| Collections of Spectra or Data Tables | |
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| Shape of MS Clusters | |
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| CAS Registry Numbers for Unknowns | |
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| Glossary and Abbreviations | |
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| Index | |