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Simulate and predict NMR spectra directly from your webbrowser using standard HTML5. You can also simulate 13C, 1H as well as 2D spectra like COSY, HSQC, HMBC. Second order effect like AB, ABX, AA'XX' can be simulated as well.
- About
1 H NMR prediction was possible thanks to the tool of the...
- Predict 1H NMR
NMR Predict. Draw a chemical structure and click on...
- Predict 13C NMR
NMR Predict. Draw a chemical structure and click on...
- Web services
Link your website to predicted 1H, 13C, COSY, HSQC, HMBC NMR...
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Simulate and predict NMR spectra directly from your...
- Structure elucidation
Simulate and predict NMR spectra directly from your...
- About
A software to visualize, analyze and process 1D and 2D NMR spectra directly from the browser that you can test for free. Designed for analytical and organic chemists as well as for teaching.
As seen in the 1 H NMR spectrum of methyl acetate (Fig. 6.6a), the x-axis units of the NMR spectrum are in ppm (not in H z, as we would expect for frequency), and the two signals stand at different positions along the x-axis. Let’s explain how that works and what information can be obtained.
16 gru 2021 · The Fig. 6.7a is the 1 H NMR spectrum of 1,4-dimethylbenzene with integration line (blue lines). The integration line generated by the computer is always in curve shape that resemble steps.
Multiplet simulator. This tool allows to explain the shape of a signal as a function of its scalar couplings constants. It does not consider secondary effects. To start, you must define a set of coupling constants in the left upper table, along with its multiplicities. Coupling constants are specfied in Hz and multiplicities must be one of the ...
As seen in the 1 H NMR spectrum of methyl acetate (Fig. 6.6a), the x-axis units of NMR spectrum are in ppm (not in Hz as we would expect for frequency), and the two signals stand at different position along the x-axis. Let’s explain how that works and what information can be obtained.
1H NMR Spectroscopy 1 Characteristic 1H NMR chemical shifts A 1H NMR (say “proton NMR” or “one H NMR”) spectrum provides 4 key bits of information: i) Chemical shift — tells you about adjacent atoms (Cl, O, N) or env ironments (C=C, C=O, aromatic ring),
