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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 | |