| SpectraBase Compound ID | JRUx3fgMYn6 |
|---|---|
| InChI | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
| InChIKey | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Mol Weight | 152.11 g/mol |
| Molecular Formula | C5H4N4O2 |
| Exact Mass | 152.033425 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BWLOS2Sv5uU |
|---|---|
| Name | Xanthine |
| Alternate Name(s) | 3,7-Dihydro-1h-purine-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H4N4O2 |
| InChI | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
| InChIKey | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 152.113 g/mol |
| SMILES | [nH]1c2C(NC(Nc2nc1)=O)=O |
| SPLASH | splash10-0udi-9300000000-dd7e4ab848ecc7ed0a6d |
| Source of Spectrum | SRH-2022-10518-0 |
| Wiley ID | 1832133 |