| SpectraBase Compound ID | 4INV8NiWklk |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-5-8(3)10(12)7-11(13)9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | CJLGKQGYTBDGJZ-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lw9Q6UiJZrv |
|---|---|
| Name | 3,7-Dimethyl-4,6-nonandione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-5-8(3)10(12)7-11(13)9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | CJLGKQGYTBDGJZ-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | CCC(C(CC(C(CC)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964161 |