| SpectraBase Compound ID | 4Ur6p29Wga7 |
|---|---|
| InChI | InChI=1S/C8H9NO3/c1-5-6(8(11)12-2)3-4-7(10)9-5/h3-4H,1-2H3,(H,9,10) |
| InChIKey | NYZKFYQERYBEAB-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 | 7HAKeYjIEkB |
|---|---|
| Name | 2-Methyl-6-oxo-1H-pyridine-3-carboxylic acid methyl ester |
| 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/c1-5-6(8(11)12-2)3-4-7(10)9-5/h3-4H,1-2H3,(H,9,10) |
| InChIKey | NYZKFYQERYBEAB-UHFFFAOYSA-N |
| SMILES | C1(=C(NC(C=C1)=O)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8891 |