| SpectraBase Compound ID | 5mzfOFTj9A9 |
|---|---|
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| InChIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C8H10N4O2 |
| Exact Mass | 194.080376 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96UStrzYUXB |
|---|---|
| Name | Caffeine |
| CAS Registry Number | 58-08-2 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H10N4O2 |
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| InChIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 10393M |
| Solvent | CDCl3 |
| Synonyms | 1,3,7-Trimethylxanthine Methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 1,3,7-Trimethyl-2,6-dioxopurine |