| SpectraBase Compound ID | 6rmnvRWc9SG |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-2-14-11(13)9-5-3-7-10(12)8-4-6-9/h9H,2-8H2,1H3 |
| InChIKey | FJAACCXTIJMECI-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5EGWdjQp7aT |
|---|---|
| Name | Cyclooctanecarboxylic acid, 5-oxo-, ethyl ester |
| 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)9-5-3-7-10(12)8-4-6-9/h9H,2-8H2,1H3 |
| InChIKey | FJAACCXTIJMECI-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(=O)(C1CCCC(=O)CCC1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951639 |