![2-Hexenoic acid, 5-(1-ethoxyethoxy)-, methyl ester, [R*,S*-(E)]-(.+-.)-](/api/spectrum/8j5elSsGbOD/structure.png?h=300&w=458 "2-Hexenoic acid, 5-(1-ethoxyethoxy)-, methyl ester, [R*,S*-(E)]-(.+-.)-")
| SpectraBase Compound ID | 4mr6cvFsPoO |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-5-14-10(3)15-9(2)7-6-8-11(12)13-4/h6,8-10H,5,7H2,1-4H3/b8-6+ |
| InChIKey | KLJDUJMPSBUHIJ-SOFGYWHQSA-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 | 8j5elSsGbOD |
|---|---|
| Name | 2-Hexenoic acid, 5-(1-ethoxyethoxy)-, methyl ester, [R*,S*-(E)]-(.+-.)- |
| 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/c1-5-14-10(3)15-9(2)7-6-8-11(12)13-4/h6,8-10H,5,7H2,1-4H3/b8-6+ |
| InChIKey | KLJDUJMPSBUHIJ-SOFGYWHQSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CCOC(OC(C\C=C\C(OC)=O)C)C |