| 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 | Duydy9P1UQF |
|---|---|
| Name | 1,3,7-Trimethylxanthine |
| Alternate Name(s) | Caffeine anhydrate |
| Comments | MONAID: JP000558 |
| 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 |
| Ionization Type | EI-B |
| SMILES | c1nc2c([n]1C)C(=O)N(C(N2C)=O)C |
| SPLASH | splash10-0006-0900000000-e32bb37f6084cd3a51e4 |
| Source of Spectrum | SRH-2022-558-0 |
| Wiley ID | 1823049 |