| SpectraBase Compound ID | HHchGtvbJxq |
|---|---|
| InChI | InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3 |
| InChIKey | SQAUUQRBOCJRCW-UHFFFAOYSA-N |
| Mol Weight | 202.21 g/mol |
| Molecular Formula | C9H14O5 |
| Exact Mass | 202.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CWg3fXPHIS9 |
|---|---|
| Name | Diethyl-acetylmalonate;(ketone) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.084123546 u |
| Formula | C9H14O5 |
| InChI | InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3 |
| InChIKey | SQAUUQRBOCJRCW-UHFFFAOYSA-N |
| Molecular Weight | 202.206 g/mol |
| SMILES | C(=O)(C(C(=O)OCC)C(=O)C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993898 |