| SpectraBase Compound ID | 38ervnCjwx2 |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-5-14-11(4,15-6-2)10(13)8-7-9(3)12/h5-8H2,1-4H3 |
| InChIKey | XZZWHXQOAYKWLI-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 77rlXF1lHb5 |
|---|---|
| Name | 6,6-Diethoxyheptane-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-5-14-11(4,15-6-2)10(13)8-7-9(3)12/h5-8H2,1-4H3 |
| InChIKey | XZZWHXQOAYKWLI-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(C(=O)CCC(=O)C)(OCC)(OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918675 |