| SpectraBase Compound ID | 99DeI2YXJJw |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-8(12)11(9(2)13)10-6-4-3-5-7-10/h4,6,10-11H,3,5,7H2,1-2H3 |
| InChIKey | QMUZHTLMIZBYJZ-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BWyXrPWfjI9 |
|---|---|
| Name | 3-(1-Cyclohex-2-enyl)pentane-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-8(12)11(9(2)13)10-6-4-3-5-7-10/h4,6,10-11H,3,5,7H2,1-2H3 |
| InChIKey | QMUZHTLMIZBYJZ-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(C(=O)C)(C(=O)C)C1C=CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941264 |