| SpectraBase Compound ID | 8eRnQ4uDapX |
|---|---|
| InChI | InChI=1S/C5H6N2O4/c1-3(9)4(10)7(2-8)5(6)11/h2H,1H3,(H2,6,11) |
| InChIKey | JBUNKDHHKWVJNS-UHFFFAOYSA-N |
| Mol Weight | 158.11 g/mol |
| Molecular Formula | C5H6N2O4 |
| Exact Mass | 158.032757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LZUNjLSPQG0 |
|---|---|
| Name | Formyl pyruvyl urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.032756677 u |
| Formula | C5H6N2O4 |
| InChI | InChI=1S/C5H6N2O4/c1-3(9)4(10)7(2-8)5(6)11/h2H,1H3,(H2,6,11) |
| InChIKey | JBUNKDHHKWVJNS-UHFFFAOYSA-N |
| SMILES | C(N(C(=O)N)C=O)(C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911021 |