| SpectraBase Compound ID | 5jw0eazPt02 |
|---|---|
| InChI | InChI=1S/C9H16N4O3/c1-10(2)8(15)11(3)6-7(14)13(5)9(16)12(6)4/h6H,1-5H3 |
| InChIKey | CBYKIKCGHNYUHJ-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C9H16N4O3 |
| Exact Mass | 228.12224 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1y5kdi53b0u |
|---|---|
| Name | Allantoin- 5 methyl derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.122240388 u |
| Formula | C9H16N4O3 |
| InChI | InChI=1S/C9H16N4O3/c1-10(2)8(15)11(3)6-7(14)13(5)9(16)12(6)4/h6H,1-5H3 |
| InChIKey | CBYKIKCGHNYUHJ-UHFFFAOYSA-N |
| Molecular Weight | 228.252 g/mol |
| SMILES | CN(C(=O)N(C1C(=O)N(C(N1C)=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914402 |