| SpectraBase Compound ID | 3FIdc23VFDD |
|---|---|
| InChI | InChI=1S/C6H8N2O4/c1-3(9)8-5(11)7-4(10)6(8,2)12/h12H,1-2H3,(H,7,10,11) |
| InChIKey | CBGNUYAAGZMTNM-UHFFFAOYSA-N |
| Mol Weight | 172.14 g/mol |
| Molecular Formula | C6H8N2O4 |
| Exact Mass | 172.048407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BCFX7e3N181 |
|---|---|
| Name | 1-Acetyl-5-hydroxy-5-methylhydantoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.048406742 u |
| Formula | C6H8N2O4 |
| InChI | InChI=1S/C6H8N2O4/c1-3(9)8-5(11)7-4(10)6(8,2)12/h12H,1-2H3,(H,7,10,11) |
| InChIKey | CBGNUYAAGZMTNM-UHFFFAOYSA-N |
| SMILES | C1(N(C(C(N1)=O)(O)C)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971812 |