| SpectraBase Compound ID | L4pLqdrC7cV |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-4-9(11(13)6-3)7-8-10(12)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | MIIMHFHVKZCJMA-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 | oMXdDJKIed |
|---|---|
| Name | 4-Ethyl-3,7-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/c1-4-9(11(13)6-3)7-8-10(12)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | MIIMHFHVKZCJMA-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(CC(C(CC)=O)CC)C(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987605 |