| SpectraBase Compound ID | LnkmR13y1l1 |
|---|---|
| InChI | InChI=1S/C17H32O3/c1-5-7-8-9-10-11-14(3)12-13-16(18)15(4)17(19)20-6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | LAUDNXMUCXHATF-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C17H32O3 |
| Exact Mass | 284.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JmKwECDwlrV |
|---|---|
| Name | Ethyl 2,6-dimethyl-3-oxotridecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.235144887 u |
| Formula | C17H32O3 |
| InChI | InChI=1S/C17H32O3/c1-5-7-8-9-10-11-14(3)12-13-16(18)15(4)17(19)20-6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | LAUDNXMUCXHATF-UHFFFAOYSA-N |
| SMILES | C(CCCCC(CCC(C(C(OCC)=O)C)=O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981818 |