| SpectraBase Compound ID | CPLDvycbTxG |
|---|---|
| InChI | InChI=1S/C6H7N3O3/c1-7-2-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H3,8,9,10,11,12)/b7-2+ |
| InChIKey | DFYYRVRBBKKZIU-FARCUNLSSA-N |
| Mol Weight | 169.14 g/mol |
| Molecular Formula | C6H7N3O3 |
| Exact Mass | 169.048741 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8IBPE2rRezD |
|---|---|
| Name | Pyrimidine-2,4(1H,3H)-dione, 6-hydroxy-5-methyliminomethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.048741094 u |
| Formula | C6H7N3O3 |
| InChI | InChI=1S/C6H7N3O3/c1-7-2-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H3,8,9,10,11,12)/b7-2+ |
| InChIKey | DFYYRVRBBKKZIU-FARCUNLSSA-N |
| SMILES | C\N=C\C1=C(NC(NC1=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955769 |