| SpectraBase Compound ID | LvcID1Y5Dh5 |
|---|---|
| InChI | InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9) |
| InChIKey | FQXOOGHQVPKHPG-UHFFFAOYSA-N |
| Mol Weight | 128.09 g/mol |
| Molecular Formula | C4H4N2O3 |
| Exact Mass | 128.022192 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D9YB0i9MQPh |
|---|---|
| Name | 2,4,5-Trihydroxypyrimidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.022191994 u |
| Formula | C4H4N2O3 |
| InChI | InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9) |
| InChIKey | FQXOOGHQVPKHPG-UHFFFAOYSA-N |
| SMILES | C1(=O)NCC(=O)C(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964025 |