| SpectraBase Compound ID | DsWCeqCZkqs |
|---|---|
| InChI | InChI=1S/C5H5N3O3/c6-4(10)2-1-3(9)8-5(11)7-2/h1H,(H2,6,10)(H2,7,8,9,11) |
| InChIKey | HKFHIZASFFTQOK-UHFFFAOYSA-N |
| Mol Weight | 155.11 g/mol |
| Molecular Formula | C5H5N3O3 |
| Exact Mass | 155.033091 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LjVTzIScx6M |
|---|---|
| Name | Orotyl amide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.033091030 u |
| Formula | C5H5N3O3 |
| InChI | InChI=1S/C5H5N3O3/c6-4(10)2-1-3(9)8-5(11)7-2/h1H,(H2,6,10)(H2,7,8,9,11) |
| InChIKey | HKFHIZASFFTQOK-UHFFFAOYSA-N |
| Molecular Weight | 155.113 g/mol |
| SMILES | C(N)(=O)C1=CC(=O)NC(=O)N1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985976 |