| SpectraBase Compound ID | KjfCkM91zza |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h6,8,11H,2-5,7,9-10H2,1H3/b8-6+ |
| InChIKey | WXAINOFOAPDCQS-SOFGYWHQSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HljgqQYRzB2 |
|---|---|
| Name | 3-Decenoic acid, 10-oxo-, ethyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h6,8,11H,2-5,7,9-10H2,1H3/b8-6+ |
| InChIKey | WXAINOFOAPDCQS-SOFGYWHQSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(=O)(OCC)C\C=C\CCCCCC=O |