| SpectraBase Compound ID | Ab7LAqnjebD |
|---|---|
| InChI | InChI=1S/C11H20O/c1-5-6-7-8-9-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+ |
| InChIKey | HSOSYNUFWLCFQA-CMDGGOBGSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5NCpLU7DWCX |
|---|---|
| Name | (E)-2,2-Dimethylnon-4-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-5-6-7-8-9-10(12)11(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+ |
| InChIKey | HSOSYNUFWLCFQA-CMDGGOBGSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(C(C)(C)C)(\C=C\CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932694 |