![4-Nitro-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione](/api/spectrum/8EawHuxM1a/structure.png?h=300&w=458 "4-Nitro-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione")
| SpectraBase Compound ID | 65gIt8jwtuA |
|---|---|
| InChI | InChI=1S/C4H5N5O4/c10-3-5-1-2(7-3)8(9(12)13)4(11)6-1/h1-2H,(H,6,11)(H2,5,7,10) |
| InChIKey | JKHUCXGVGAGENO-UHFFFAOYSA-N |
| Mol Weight | 187.12 g/mol |
| Molecular Formula | C4H5N5O4 |
| Exact Mass | 187.034154 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8EawHuxM1a |
|---|---|
| Name | 4-Nitro-3,3A,6,6A-tetrahydro-1H-imidazo[4,5-D]imidazole-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.034153657 u |
| Formula | C4H5N5O4 |
| InChI | InChI=1S/C4H5N5O4/c10-3-5-1-2(7-3)8(9(12)13)4(11)6-1/h1-2H,(H,6,11)(H2,5,7,10) |
| InChIKey | JKHUCXGVGAGENO-UHFFFAOYSA-N |
| SMILES | C12NC(NC2N(C(N1)=O)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957672 |