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 Structural Analysis COCKPIT - Using Google CHROME !!! |
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ChemDraw EPFL site licence |
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ChemDoodle UNIL and EPFL site license |
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For fun: Telegram bot for periodic table of elements |
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For fun: Telegram bot: chemcalc molecular formula analysis |
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| References & Resources |
Masse et infra-rouge: Notes de l'enseignant |
Document google docs "commentable" |
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 Spectroscopie de resonance magnetique nucleaire (RMN) |
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Tables de références |
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| Mass spectrometry - Simple exercises on MF |
2021.02.22 Cours 1 |
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2021.03.01 Cours 2 |
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ChemCalc - Analyse molecular formula |
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ChemCalc - Molecular formula from monoisotopic mass |
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How charged is my molecule ? |
How charged is my molecule ? |
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Interactive exercises on isotopic distribution |
Interactive exercises on isotopic distribution |
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What is my monoisotopic mass |
What is my monoisotopic mass |
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| Mass spectrometry : Integrated exercises |
Integrated MS exercises |
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2021-03-08 cours 3 |
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| Mass spectrometry : Fragmentation |
Exercises on fragmentation |
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NIST wetbook database (resource of over 100 thousands spectra) |
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Fragmenttion simulation |
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2021-03-15 cours 4 |
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| Degree of unsaturation and structural isomers |
Exercises on unsaturation degree based on chemical structure |
More exercises on unsaturation degree |
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Exercises on degree of unsaturation based on molecular formula |
More exercises on degree of unsaturation based on molecular formula |
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Generate possible structural isomers |
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Structural isomers |
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2021-03-22 cours 5 |
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| Infrared spectroscopy |
Browse and compare IR spectra |
Browse and compare IR spectra |
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Wikipedia article showing the different vibrations |
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Exercise: determine the structure from an IR spectrum |
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2021-03-30 Cours 6 |
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| Homotopic, Enantiotopic, Diastereotopic |
Tool: Explore topicity. Draw any molecule and check equivalent atoms. |
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Exercise: Find the number of different hydrogens |
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2021-04-12 Cours 7 |
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| NMR: Various tools |
Tool: NMR 1H prediction |
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Tool: Simulate multiplet |
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Tool: Simulate second order effect AB, ABC, ... |
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| 1H NMR: number of signals and simple assignment |
2021-04-19 cours 8 |
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Exercise: Assign NMR spectra |
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Exercise: Find the number of signals in the NMR spectrum |
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| Simple NMR spectra |
2021-04-29 cours 9 |
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Exercise: Determine structure of simulated spectra |
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Exercise: Determine structure from predicted NMR spectra |
Those exercises will simulate NMR spectra from simple molecules. Don't forget to calculate the unsaturation degree ! |
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| 1H NMR: structure from experimental spectrum |
2021-05-03 Cours 10 |
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Exercise: Determine structure of experimental NMR spectra |
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Exercise: Integrate NMR spectrum and determine the structure |
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| NMR spectra of Boc protected amino acids |
1H NMR of amino acids |
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| 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. |
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| NMR: 13C exercises |
Tool: 13C NMR prediction |
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Tool: calculate the population difference |
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Exercise: 13C NMR exercises |
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2021-05-10 Cours 11 |
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| Integrated exercises |
2021-05-17 Cours 12 |
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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. |
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| 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. |
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| Example of exam |
Exemple d'examen |
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Correction examen |
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Séance de révision - 29 août 2020 |
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