| SpectraBase Compound ID | 423aPORf6n3 |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-4-15-12(14)7-5-6-11(13)9-8-10(2)3/h8H,4-7,9H2,1-3H3 |
| InChIKey | VIEPHBNXJJFINF-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3MOiRGGAzGa |
|---|---|
| Name | 5-Keto-8-methyl-non-7-enoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-4-15-12(14)7-5-6-11(13)9-8-10(2)3/h8H,4-7,9H2,1-3H3 |
| InChIKey | VIEPHBNXJJFINF-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(=C(C)C)CC(=O)CCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990943 |