| SpectraBase Compound ID | 6sjLWrj7ABA |
|---|---|
| InChI | InChI=1S/C5H8N4O2/c1-9-3(7)2(6)4(10)8-5(9)11/h6-7H2,1H3,(H,8,10,11) |
| InChIKey | PSIJQVXIJHUQPJ-UHFFFAOYSA-N |
| Mol Weight | 156.15 g/mol |
| Molecular Formula | C5H8N4O2 |
| Exact Mass | 156.064726 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KrFW4BEtXwU |
|---|---|
| Name | 1-Methyl-5,6-diaminouracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.064725512 u |
| Formula | C5H8N4O2 |
| InChI | InChI=1S/C5H8N4O2/c1-9-3(7)2(6)4(10)8-5(9)11/h6-7H2,1H3,(H,8,10,11) |
| InChIKey | PSIJQVXIJHUQPJ-UHFFFAOYSA-N |
| SMILES | C1(NC(C(=C(N1C)N)N)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932466 |