| SpectraBase Compound ID | JjHgsMEZmMQ |
|---|---|
| InChI | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) |
| InChIKey | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
| Mol Weight | 128.09 g/mol |
| Molecular Formula | C4H4N2O3 |
| Exact Mass | 128.022192 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JGmHJamLZtA |
|---|---|
| Name | Barbituric acid |
| CAS Registry Number | 67-52-7 |
| Classification | Barbiturate precursor |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 128.022191994 u |
| Formula | C4H4N2O3 |
| InChI | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) |
| InChIKey | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 128.087 g/mol |
| Nominal Mass | 128 u |
| Quality | 987 |
| Retention Index | 1123 |
| SMILES | C1(NC(CC(N1)=O)=O)=O |
| SPLASH | splash10-0006-9000000000-3c190a97a00e892bed52 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Pyrimidine-2,4,6-trione |
| Technique | GC/MS |
| Wiley ID | DD2024_000204 |