| SpectraBase Compound ID | yXo4XVcqGM |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-10(12)8-6-4-3-5-7-9-14-11(2)13/h3-4H,5-9H2,1-2H3/b4-3- |
| InChIKey | OXTVHYXJZGGCOS-ARJAWSKDSA-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 | KOsWO6dFNl8 |
|---|---|
| Name | 9-Acetoxynon-5(Z)-en-2-one |
| 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/c1-10(12)8-6-4-3-5-7-9-14-11(2)13/h3-4H,5-9H2,1-2H3/b4-3- |
| InChIKey | OXTVHYXJZGGCOS-ARJAWSKDSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(=O)(OCCC\C=C/CCC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874785 |