| SpectraBase Compound ID | KGul0sipQJq |
|---|---|
| InChI | 1S/C11H18O3/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h9H,2-8H2,1H3 |
| InChIKey | OJCDCHCBNASPBS-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6DhldzTq7MW |
|---|---|
| Name | Ethyl 2-oxo-1-cyclooctanecarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h9H,2-8H2,1H3 |
| InChIKey | OJCDCHCBNASPBS-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C1(C(=O)OCC)C(=O)CCCCCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.943808 |