| SpectraBase Compound ID | 3NrXJj9yVQ3 |
|---|---|
| InChI | InChI=1S/C6H8N2O2/c1-2-3-8-5(9)4-7-6(8)10/h2H,1,3-4H2,(H,7,10) |
| InChIKey | QHWUAGOQTZKGMF-UHFFFAOYSA-N |
| Mol Weight | 140.14 g/mol |
| Molecular Formula | C6H8N2O2 |
| Exact Mass | 140.058578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Vl2YRab30B |
|---|---|
| Name | 3-Allylhydantoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.058577504 u |
| Formula | C6H8N2O2 |
| InChI | InChI=1S/C6H8N2O2/c1-2-3-8-5(9)4-7-6(8)10/h2H,1,3-4H2,(H,7,10) |
| InChIKey | QHWUAGOQTZKGMF-UHFFFAOYSA-N |
| SMILES | C=CCN1C(=O)CNC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983194 |