| SpectraBase Compound ID | GOtHxE94fL |
|---|---|
| InChI | InChI=1S/C11H18O2/c12-9-11(13)8-10-6-4-2-1-3-5-7-10/h8,12H,1-7,9H2 |
| InChIKey | ZVRJEKMPCWDWAN-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DllzY29lhOc |
|---|---|
| Name | 3-Cyclooctylidene-1-hydroxy-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c12-9-11(13)8-10-6-4-2-1-3-5-7-10/h8,12H,1-7,9H2 |
| InChIKey | ZVRJEKMPCWDWAN-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(=C1CCCCCCC1)C(=O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954271 |