| SpectraBase Compound ID | LsJXTf9fh7Q |
|---|---|
| InChI | InChI=1S/C6H5N3O/c1-9-4-8-3-5(2-7)6(9)10/h3-4H,1H3 |
| InChIKey | AFEBWVKEOTYSTN-UHFFFAOYSA-N |
| Mol Weight | 135.13 g/mol |
| Molecular Formula | C6H5N3O |
| Exact Mass | 135.043262 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HNQ6IHccGFe |
|---|---|
| Name | 4-Hydroxy-5-pyrimidinecarbonitrile, N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.043261792 u |
| Formula | C6H5N3O |
| InChI | InChI=1S/C6H5N3O/c1-9-4-8-3-5(2-7)6(9)10/h3-4H,1H3 |
| InChIKey | AFEBWVKEOTYSTN-UHFFFAOYSA-N |
| Molecular Weight | 135.126 g/mol |
| SMILES | C=1N(C(C(=CN1)C#N)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909577 |