| SpectraBase Compound ID | GbkJLlf4M6F |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-4-7-10(12)8-11(13)9(5-2)6-3/h9H,4-8H2,1-3H3 |
| InChIKey | FXIUOBFYAGRWJN-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vxD7VtGODc |
|---|---|
| Name | 3-Ethyl-4,6-nonandione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-4-7-10(12)8-11(13)9(5-2)6-3/h9H,4-8H2,1-3H3 |
| InChIKey | FXIUOBFYAGRWJN-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(=O)(CCC)CC(C(CC)CC)=O |