| SpectraBase Compound ID | 7Ljv3cfcsN0 |
|---|---|
| InChI | InChI=1S/C11H18O3/c12-10-5-3-1-2-4-6-11(9-10)13-7-8-14-11/h1-9H2 |
| InChIKey | LIVQDPZPUPZIAK-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 | OQ6wWdyCEs |
|---|---|
| Name | 3,3-Ethanedioxycyclononanone |
| 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/c12-10-5-3-1-2-4-6-11(9-10)13-7-8-14-11/h1-9H2 |
| InChIKey | LIVQDPZPUPZIAK-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C12(CC(=O)CCCCCC2)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943482 |