| SpectraBase Compound ID | GK3fEOD9N96 |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-5-9(12)11(3,4)8-7-10(13)14-6-2/h5-8H2,1-4H3 |
| InChIKey | GUPBAOUQTFJWDT-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 | BhyN37gx4KP |
|---|---|
| Name | Hept-5-one-1-lic acid, 4,4-dimethyl-, ethyl ester |
| 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/c1-5-9(12)11(3,4)8-7-10(13)14-6-2/h5-8H2,1-4H3 |
| InChIKey | GUPBAOUQTFJWDT-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | CCC(=O)C(C)(C)CCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993119 |