| SpectraBase Compound ID | AwawpwCQj8j |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-6(11)9(7(2)12)8-4-3-5-10-8/h10H,3-5H2,1-2H3 |
| InChIKey | UHYWPLUCWSOQSU-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DVLAagat9NG |
|---|---|
| Name | 3-(2-Pyrrolidinylidene)pentane-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-6(11)9(7(2)12)8-4-3-5-10-8/h10H,3-5H2,1-2H3 |
| InChIKey | UHYWPLUCWSOQSU-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C(=C1NCCC1)(C(=O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858295 |