| SpectraBase Compound ID | A5mF2T4uRuu |
|---|---|
| InChI | InChI=1S/C7H9NO4/c1-3-11-7(10)6(4-8)12-5(2)9/h6H,3H2,1-2H3 |
| InChIKey | UEXBZEILQKPSOK-UHFFFAOYSA-N |
| Mol Weight | 171.15 g/mol |
| Molecular Formula | C7H9NO4 |
| Exact Mass | 171.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JPsCsX6MaPv |
|---|---|
| Name | Ethyl acetoxycyanoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.053157770 u |
| Formula | C7H9NO4 |
| InChI | InChI=1S/C7H9NO4/c1-3-11-7(10)6(4-8)12-5(2)9/h6H,3H2,1-2H3 |
| InChIKey | UEXBZEILQKPSOK-UHFFFAOYSA-N |
| Molecular Weight | 171.152 g/mol |
| SMILES | CC(=O)OC(C#N)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824199 |