| SpectraBase Compound ID | BClFImyKLLP |
|---|---|
| InChI | InChI=1S/C7H7NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h2-4H,1H3,(H,8,9) |
| InChIKey | SILBTMNCGYLTOK-UHFFFAOYSA-N |
| Mol Weight | 153.14 g/mol |
| Molecular Formula | C7H7NO3 |
| Exact Mass | 153.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L6DiabDwkxf |
|---|---|
| Name | Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.042593086 u |
| Formula | C7H7NO3 |
| InChI | InChI=1S/C7H7NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h2-4H,1H3,(H,8,9) |
| InChIKey | SILBTMNCGYLTOK-UHFFFAOYSA-N |
| Molecular Weight | 153.137 g/mol |
| SMILES | C1=CNC(C(=C1)C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986679 |