| SpectraBase Compound ID | FhS16ULh16o |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-4-6-10(12)9(5-2)7-8-11(13)14-3/h9H,4-8H2,1-3H3 |
| InChIKey | KJOCXOSLJQSVNX-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xsgufHm0OH |
|---|---|
| Name | Methyl 4-ethyl-5-oxooctanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-4-6-10(12)9(5-2)7-8-11(13)14-3/h9H,4-8H2,1-3H3 |
| InChIKey | KJOCXOSLJQSVNX-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C(CCC(C(CCC)=O)CC)(=O)OC |