| SpectraBase Compound ID | C9dfzvbBo5Y |
|---|---|
| InChI | InChI=1S/C12H22O6/c1-3-17-12(14)6-4-5-11(9-13)18-10-16-8-7-15-2/h4,6,11,13H,3,5,7-10H2,1-2H3/b6-4+/t11-/m0/s1 |
| InChIKey | SWWBDIKDKNLWIV-MALLOTDXSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C12H22O6 |
| Exact Mass | 262.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQ4BA1HTGVL |
|---|---|
| Name | (2E,5S)-Ethyl-6hydroxy-5-methoxyethoxymethoxyl-2-hexenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.141638422 u |
| Formula | C12H22O6 |
| InChI | InChI=1S/C12H22O6/c1-3-17-12(14)6-4-5-11(9-13)18-10-16-8-7-15-2/h4,6,11,13H,3,5,7-10H2,1-2H3/b6-4+/t11-/m0/s1 |
| InChIKey | SWWBDIKDKNLWIV-MALLOTDXSA-N |
| Molecular Weight | 262.302 g/mol |
| SMILES | C(=O)(OCC)\C=C\C[C@@](CO)(OCOCCOC)[H] |