NMR
Exercises
4.1 Find the structure from 1H NMR spectrum
3. Assign 1H NMR spectra to molecule
4. Find the structure from simple 1H NMR spectrum
5. 1H NMR spectra of small molecules
7. 1H NMR spectra of Boc amino acids
8. 13C NMR
1. Number of different Hs
6. 1H NMR integrate and find the structure
2. Number of signals in 1H NMR
Tools
Multiplet simulator
Browse spectra
1H Prediction
Simulation of AB, ABC, ...
13C Prediction
Explore diastereotopic atoms
Integrated
2. IR MS NMR 1H
3. IR NMR 1H 13C
1. EM NMR 1H
3D
2D to 3D
2D to conformers
Mass
2. Tool: MF from monoisotopic mass
3. Tool : Mass fragmentation
1. Tool: information from MF or structure
10. Exercise : Determine charge
11. Exercise : Monoisotopic mass
12. Exercise : Isotopic distribution
13. Exercise : MF Determination by mass
14. Exercise : Electronic Impact
IR
IR spectra prediction
Browse Spectra
Exercise: determine structure from IR spectrum
Unsaturation
From structure
From MF
Isomer generator
Isomères de structure
Create a 3D model from a 2D structure in one click and copy the resulting molfile.