|
Structural Analysis COCKPIT - Using Google CHROME !!! |
|
|
ChemDraw EPFL site licence |
|
|
ChemDoodle UNIL and EPFL site license |
|
|
For fun: Telegram bot for periodic table of elements |
|
|
For fun: Telegram bot: chemcalc molecular formula analysis |
|
|
References & Resources |
Masse et infra-rouge: Notes de l'enseignant |
Document google docs "commentable" |
|
Spectroscopie de resonance magnetique nucleaire (RMN) |
|
|
Tables de références |
|
|
Mass spectrometry - Simple exercises on MF |
ChemCalc - Analyse molecular formula |
|
|
ChemCalc - Molecular formula from monoisotopic mass |
|
|
How charged is my molecule ? |
How charged is my molecule ? |
|
Interactive exercises on isotopic distribution |
Interactive exercises on isotopic distribution |
|
What is my monoisotopic mass |
What is my monoisotopic mass |
|
Mass spectrometry : Integrated exercises |
Integrated MS exercises |
|
|
Mass spectrometry : Fragmentation |
Exercises on fragmentation |
|
|
NIST wetbook database (resource of over 100 thousands spectra) |
|
|
Fragmenttion simulation |
|
|
Degree of unsaturation and structural isomers |
Exercises on unsaturation degree based on chemical structure |
More exercises on unsaturation degree |
|
Exercises on degree of unsaturation based on molecular formula |
More exercises on degree of unsaturation based on molecular formula |
|
Generate possible structural isomers |
|
|
Structural isomers |
|
|
Infrared spectroscopy |
Browse and compare IR spectra |
Browse and compare IR spectra |
|
Wikipedia article showing the different vibrations |
|
|
Exercise: determine the structure from an IR spectrum |
|
|
Homotopic, Enantiotopic, Diastereotopic |
Tool: Explore topicity. Draw any molecule and check equivalent atoms. |
|
|
Exercise: Find the number of different hydrogens |
|
|
NMR: Various tools |
Tool: NMR 1H prediction |
|
|
Tool: Simulate multiplet |
|
|
Tool: Simulate second order effect AB, ABC, ... |
|
|
1H NMR: number of signals and simple assignment |
Exercise: Find the number of signals in the NMR spectrum |
|
|
Exercise: Assign NMR spectra |
|
|
Simple NMR spectra |
Exercise: Determine structure of simulated spectra |
|
|
Exercise: Determine structure from predicted NMR spectra |
Those exercises will simulate NMR spectra from simple molecules. Don't forget to calculate the unsaturation degree ! |
|
1H NMR: structure from experimental spectrum |
Exercise: Determine structure of experimental NMR spectra |
|
|
Exercise: Integrate NMR spectrum and determine the structure |
|
|
Integrated exercises |
Determine the structure from EM, IR and 1H NMR |
Determine the chemical structure of unknown products from the monoisotopic mass, infrared spectrum as well as proton NMR. |
|
NMR spectra of Boc protected amino acids |
1H NMR of amino acids |
|
|
NMR: 13C exercises |
Tool: 13C NMR prediction |
|
|
Tool: calculate the population difference |
|
|
Exercise: 13C NMR exercises |
|
|
Integrated exercises |
Determine the structure from MS, IR and 1H NMR |
Determine the chemical structure of unknown products from the electronic impact mass spectrum, infrared spectrum as well as proton NMR. |
|
Integrated exercises |
Determine the structure from 13C and 1H NMR |
Determine the chemical structure of unknown products from the proton NMR as well as coupled and decoupled carbon NMR spectra. |
|
Example of exam |
Exemple d'examen |
|
|
Correction examen |
|