Structure elucidation of molecules in solution based on NMR, MS, and IR data: independent interpretation of nuclear magnetic resonance, infrared, and mass spectra to determine the structure of simple molecules
Practical examples for structure elucidation of unknown molecules based on proton and carbon NMR spectra, IR spectra and electron impact mass spectra, discussion of convergent strategies for structure determination incorporating the following data: chemical shift-/coupling-/integration-information derived from NMR spectra; electron impact mass spectra: molecular weight and fragmentation, isotopic pattern, elemental composition and collisions induced dissociation; vibration types and frequencies as well as spectral ranges for various functional groups in IR spectroscopy; if required including data from chemical elemental analysis and utilization of computer-aided methods and data bases in NMR, IR and MS.
