| SpectraBase Compound ID | 1TkRXZLVWnB |
|---|---|
| InChI | InChI=1S/C5H6N2O4/c1-6-3(9)4(10)7(2-8)5(6)11/h2,4,10H,1H3 |
| InChIKey | OMEOQKGCYVFJID-UHFFFAOYSA-N |
| Mol Weight | 158.11 g/mol |
| Molecular Formula | C5H6N2O4 |
| Exact Mass | 158.032757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GXH9RlS592b |
|---|---|
| Name | 3-Methyl-5-oxidanyl-2,4-bis(oxidanylidene)imidazolidine-1-carbaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.032756677 u |
| Formula | C5H6N2O4 |
| InChI | InChI=1S/C5H6N2O4/c1-6-3(9)4(10)7(2-8)5(6)11/h2,4,10H,1H3 |
| InChIKey | OMEOQKGCYVFJID-UHFFFAOYSA-N |
| SMILES | C1(N(C(C(N1C)=O)O)C=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934346 |