| SpectraBase Compound ID | EBKeUroBuqj |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-3-11-5(6(8)9)7(10)12-4-2/h5H,3-4H2,1-2H3,(H2,8,9) |
| InChIKey | KIWPKJRYYZIZSJ-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L3MUnvHjp2a |
|---|---|
| Name | Ethyl 3-amino-2-ethoxy-3-oxopropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.084457899 u |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-3-11-5(6(8)9)7(10)12-4-2/h5H,3-4H2,1-2H3,(H2,8,9) |
| InChIKey | KIWPKJRYYZIZSJ-UHFFFAOYSA-N |
| Molecular Weight | 175.184 g/mol |
| SMILES | C(C(C(=O)N)OCC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982139 |