| SpectraBase Compound ID | dvRWv4yMaA |
|---|---|
| InChI | InChI=1S/C17H32O3/c1-3-4-5-6-7-10-13-16(18)14-11-8-9-12-15-17(19)20-2/h3-15H2,1-2H3 |
| InChIKey | ADFDJSHRVPQQBC-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 | CoMDH69BJHv |
|---|---|
| Name | Methyl 8-oxohexadecanoate |
| 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/c1-3-4-5-6-7-10-13-16(18)14-11-8-9-12-15-17(19)20-2/h3-15H2,1-2H3 |
| InChIKey | ADFDJSHRVPQQBC-UHFFFAOYSA-N |
| SMILES | COC(=O)CCCCCCC(CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857248 |