| SpectraBase Compound ID | 2NSOgS2Mqqm |
|---|---|
| InChI | InChI=1S/C8H9NO3/c1-4-3-6(11)7(5(2)10)8(12)9-4/h3,7H,1-2H3,(H,9,12) |
| InChIKey | JOQTZIGMTDSFFI-UHFFFAOYSA-N |
| Mol Weight | 167.16 g/mol |
| Molecular Formula | C8H9NO3 |
| Exact Mass | 167.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4DwYMofcEt0 |
|---|---|
| Name | 3-Acetyl-6-methyl-1H,3H-2,4-pyridinedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.058243151 u |
| Formula | C8H9NO3 |
| InChI | InChI=1S/C8H9NO3/c1-4-3-6(11)7(5(2)10)8(12)9-4/h3,7H,1-2H3,(H,9,12) |
| InChIKey | JOQTZIGMTDSFFI-UHFFFAOYSA-N |
| Molecular Weight | 167.164 g/mol |
| SMILES | C1(C(C(=O)C=C(N1)C)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92383 |