| SpectraBase Compound ID | Jka0Tu4opwS |
|---|---|
| InChI | InChI=1S/C11H18O/c1-5-10(6-2)8-11(12)7-9(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | BCUSKOBJYAERHG-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HPfsd6ya4xY |
|---|---|
| Name | 6-Ethyl-2-methylocta-2,5-dien-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-5-10(6-2)8-11(12)7-9(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | BCUSKOBJYAERHG-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | CC(=CC(C=C(CC)CC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947038 |