| SpectraBase Compound ID | BjvFMnIarzp |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-4-14-11(13)8-7-10(12)6-5-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | UJOCRHTYFPNWKW-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8kDGylrj5sG |
|---|---|
| Name | Ethyl 7-methyl-4-oxooctanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-4-14-11(13)8-7-10(12)6-5-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | UJOCRHTYFPNWKW-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C(CCC(CCC(C)C)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990422 |