![3-[2-Diethylaminoethyl]-2,4-pentanedione](/api/spectrum/EZf4Onmetas/structure.png?h=300&w=458 "3-[2-Diethylaminoethyl]-2,4-pentanedione")
| SpectraBase Compound ID | 9BhZpymwlvT |
|---|---|
| InChI | InChI=1S/C11H21NO2/c1-5-12(6-2)8-7-11(9(3)13)10(4)14/h11H,5-8H2,1-4H3 |
| InChIKey | ZJSHUBNIFBGLFU-UHFFFAOYSA-N |
| Mol Weight | 199.29 g/mol |
| Molecular Formula | C11H21NO2 |
| Exact Mass | 199.157229 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EZf4Onmetas |
|---|---|
| Name | 3-[2-Diethylaminoethyl]-2,4-pentanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.157228918 u |
| Formula | C11H21NO2 |
| InChI | InChI=1S/C11H21NO2/c1-5-12(6-2)8-7-11(9(3)13)10(4)14/h11H,5-8H2,1-4H3 |
| InChIKey | ZJSHUBNIFBGLFU-UHFFFAOYSA-N |
| Molecular Weight | 199.294 g/mol |
| SMILES | C(=O)(C)C(CCN(CC)CC)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95872 |