| SpectraBase Compound ID | CivMPPXQu7M |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3 |
| InChIKey | CWGRYQJMCOKZEU-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A7axH7EcJ5g |
|---|---|
| Name | (1'-Cyclohexen-1'-yl)methyl 3-oxobutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3 |
| InChIKey | CWGRYQJMCOKZEU-UHFFFAOYSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C(CC(=O)C)(=O)OCC1=CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818356 |