Its chemical formula is C8H 10N4O2. Its molecular weight is 194. 19.

Its chemical name is 1, 3,7-trimethyl xanthine or 3,7-dihydro-1, 3,7-trimethyl-1H- purine-2,6-dione. Look at the given molecular structure and its atomic number. ..

Nuclear magnetic resonance? (CDCl3): In the nuclear magnetic resonance spectrum with heavy water (D2O) as solvent, the chemical shift of three methyl hydrogens is:? δ:? 3.208,3.376,3.877; An aromatic hydrogen is 7.884? One in a million.

In the NMR spectrum with deuterium chloroform as solvent, the chemical shifts of three methyl hydrogens are:? δ:? 3.4,3.6,4.0? Ppm What is aromatic hydrogen? 7.6? One in a million.

This is an introduction:

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Caffeine nuclear magnetic resonance (1HNMR)

See for spectrogram and attribution results. For reference.

At present, the most economical and effective method to identify the ownership of trimethyl group is to try to use the results of trimethyl signal that others have clearly attributed by means of carbon spectrum-hydrogen correlation two-dimensional spectrum, multi-pulse spectrum and correlation two-dimensional spectrum. Using different solvents, deuterium chloroform or heavy water, the chemical shifts of hydrogen spectra will be different, but the high and low field sequences of the three methyl hydrogen signals may be similar, which can be used as a reference for attribution.

These attribution results will appear and be marked in the standard NMR spectra set, which will be collected in comprehensive universities, chemical engineering colleges, organic chemistry research institutes and important NMR spectrometer laboratories for people to consult. If it's convenient for you, you can check it.