| SpectraBase Compound ID | 5HOB9r7ojo3 |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-4-5-6-7-10(15-9(2)12)8-11(13)14-3/h10H,4-8H2,1-3H3 |
| InChIKey | HGSORJXMRKICEG-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFDRXynppGe |
|---|---|
| Name | beta-Acetoxyoctanoic acid-methylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-4-5-6-7-10(15-9(2)12)8-11(13)14-3/h10H,4-8H2,1-3H3 |
| InChIKey | HGSORJXMRKICEG-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CCCCCC(CC(OC)=O)OC(=O)C |