| SpectraBase Compound ID | 8NMDgV5dL58 |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-12(14)11-13(15)16-4-2/h3-11H2,1-2H3 |
| InChIKey | BKALCQBTSJOFLT-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Rb2vl0jzY3 |
|---|---|
| Name | Undecanoic acid, 3-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-12(14)11-13(15)16-4-2/h3-11H2,1-2H3 |
| InChIKey | BKALCQBTSJOFLT-UHFFFAOYSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | CCCCCCCCC(=O)CC(=O)OCC |