| SpectraBase Compound ID | HX8TTBaFpXY |
|---|---|
| InChI | InChI=1S/C6H9N3O3/c1-3-4(12-2)5(10)9(8-3)6(7)11/h8H,1-2H3,(H2,7,11) |
| InChIKey | UDALIHDDTYPLSQ-UHFFFAOYSA-N |
| Mol Weight | 171.16 g/mol |
| Molecular Formula | C6H9N3O3 |
| Exact Mass | 171.064391 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KeI5YbsXZCO |
|---|---|
| Name | 4-Methoxy-3-methyl-1-(aminocarbonyl)-1H-pyrazol-5(2H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.064391159 u |
| Formula | C6H9N3O3 |
| InChI | InChI=1S/C6H9N3O3/c1-3-4(12-2)5(10)9(8-3)6(7)11/h8H,1-2H3,(H2,7,11) |
| InChIKey | UDALIHDDTYPLSQ-UHFFFAOYSA-N |
| SMILES | C=1(NN(C(C1OC)=O)C(=O)N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933663 |