![5-[(E)-3-keto-3-methoxy-prop-1-enoxy]-6-methyl-enanthic acid](/api/spectrum/JZHIlfL5TQK/structure.png?h=300&w=458 "5-[(E)-3-keto-3-methoxy-prop-1-enoxy]-6-methyl-enanthic acid")
| SpectraBase Compound ID | GwarnMIn8dS |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-9(2)10(5-4-6-11(13)14)17-8-7-12(15)16-3/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+ |
| InChIKey | WBMMDFDQQDUEGM-BQYQJAHWSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C12H20O5 |
| Exact Mass | 244.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZHIlfL5TQK |
|---|---|
| Name | 5-[(E)-3-Keto-3-methoxy-prop-1-enoxy]-6-methyl-enanthic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.131073739 u |
| Formula | C12H20O5 |
| InChI | InChI=1S/C12H20O5/c1-9(2)10(5-4-6-11(13)14)17-8-7-12(15)16-3/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+ |
| InChIKey | WBMMDFDQQDUEGM-BQYQJAHWSA-N |
| Molecular Weight | 244.287 g/mol |
| SMILES | C(\C=C\OC(C(C)C)CCCC(=O)O)(=O)OC |