| SpectraBase Compound ID | 1F3QPbHcoKq |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-9(2)5-4-7-11(3)8-6-10(12)13-11/h5H,4,6-8H2,1-3H3 |
| InChIKey | JWFJBYSFFKKMIX-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eofe9hSMQNe |
|---|---|
| Name | (+/-)-4,8-dimethylnon-7-en-4-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-9(2)5-4-7-11(3)8-6-10(12)13-11/h5H,4,6-8H2,1-3H3 |
| InChIKey | JWFJBYSFFKKMIX-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(CCC(CCC=C(C)C)(O1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984613 |