| SpectraBase Compound ID | 6cRJoLzVgxd |
|---|---|
| InChI | InChI=1S/C7H11NO2/c1-4-6(9)5-7(10)8(2)3/h4H,1,5H2,2-3H3 |
| InChIKey | JHKATQLJJWEZAU-UHFFFAOYSA-N |
| Mol Weight | 141.17 g/mol |
| Molecular Formula | C7H11NO2 |
| Exact Mass | 141.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8oqh6Dtgybd |
|---|---|
| Name | 5-Dimethylamino-1-penten-3,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.078978596 u |
| Formula | C7H11NO2 |
| InChI | InChI=1S/C7H11NO2/c1-4-6(9)5-7(10)8(2)3/h4H,1,5H2,2-3H3 |
| InChIKey | JHKATQLJJWEZAU-UHFFFAOYSA-N |
| SMILES | CN(C)C(=O)CC(=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806062 |