| SpectraBase Compound ID | 52d0VkSxNPi |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h10H,2-9H2,1H3 |
| InChIKey | RVICDIQCDUVBFK-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 | Ae83erZQF4M |
|---|---|
| Name | Nonanoic acid, 9-oxo-, 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/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h10H,2-9H2,1H3 |
| InChIKey | RVICDIQCDUVBFK-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C(CCCCCCC=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98582 |