| SpectraBase Compound ID | Bh7ZVuKO9Tq |
|---|---|
| InChI | InChI=1S/C18H34O3/c1-4-6-7-8-9-10-11-12-16(3)13-14-17(19)15-18(20)21-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | REAHMGYNZNNLGK-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C18H34O3 |
| Exact Mass | 298.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4zjQkaL7L6f |
|---|---|
| Name | Ethyl 6-methyl-3-oxopentadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.250794952 u |
| Formula | C18H34O3 |
| InChI | InChI=1S/C18H34O3/c1-4-6-7-8-9-10-11-12-16(3)13-14-17(19)15-18(20)21-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | REAHMGYNZNNLGK-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCC(CCC(CC(OCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980828 |