| SpectraBase Compound ID | K6IpiTYWhVd |
|---|---|
| InChI | InChI=1S/C9H11NO3/c1-3-10-6-7(9(12)13-2)4-5-8(10)11/h4-6H,3H2,1-2H3 |
| InChIKey | GMELGOQAUBZAOH-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KsKbV17ag3v |
|---|---|
| Name | 1-Ethyl-5-(carbomethoxy)-2(1H)-pyridinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c1-3-10-6-7(9(12)13-2)4-5-8(10)11/h4-6H,3H2,1-2H3 |
| InChIKey | GMELGOQAUBZAOH-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | C1(=CN(CC)C(C=C1)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98009 |