| SpectraBase Compound ID | EXXELDcOXYE |
|---|---|
| InChI | InChI=1S/C7H13NO2/c1-4-10-7(8-3)5-6(2)9/h5,8H,4H2,1-3H3/b7-5+ |
| InChIKey | BWNRHPPFJWWUNK-FNORWQNLSA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C7H13NO2 |
| Exact Mass | 143.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GPIZ6nCfXBg |
|---|---|
| Name | (E)-4-Ethoxy-4-(methylamino)-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.094628661 u |
| Formula | C7H13NO2 |
| InChI | InChI=1S/C7H13NO2/c1-4-10-7(8-3)5-6(2)9/h5,8H,4H2,1-3H3/b7-5+ |
| InChIKey | BWNRHPPFJWWUNK-FNORWQNLSA-N |
| Molecular Weight | 143.186 g/mol |
| SMILES | CN\C(=C/C(=O)C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833758 |