| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DAPidz8aOU6 |
|---|---|
| Name | Caffeine |
| Copyright | Copyright © 2020-2024 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 |
| Molecular Weight | 194.194 g/mol |
| SMILES | c12C(N(C)C(N(c2nc[n]1C)C)=O)=O |
| SPLASH | splash10-052f-8900000000-c52bf6be1922866aa861 |
| Source of Spectrum | SWG-33-2768-0 |
| Synonyms | 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID | 1809799 |