| SpectraBase Compound ID | IqFZSVYALF6 |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-5-15-10(14)11(4,9(3)13)7-6-8(2)12/h5-7H2,1-4H3 |
| InChIKey | CNZDATVMDLHXGZ-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fr6RmnJhRxV |
|---|---|
| Name | Ethyl 2-acetyl-2-methyl-5-oxohexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-5-15-10(14)11(4,9(3)13)7-6-8(2)12/h5-7H2,1-4H3 |
| InChIKey | CNZDATVMDLHXGZ-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(C(=O)OCC)(CCC(=O)C)(C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945049 |