| SpectraBase Compound ID | HVbEJdCrpif |
|---|---|
| InChI | InChI=1S/C11H18O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8-9H,4-5,7H2,1-3H3/b10-6+,11-8+ |
| InChIKey | BCEQJZNLIKMDEU-NSJFVGFPSA-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 | JSO9NkSclW0 |
|---|---|
| Name | 2,6-Nonadienal, 3,7-dimethyl- |
| 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/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8-9H,4-5,7H2,1-3H3/b10-6+,11-8+ |
| InChIKey | BCEQJZNLIKMDEU-NSJFVGFPSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | CC\C(=C\CC\C(=C\C=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942944 |