| SpectraBase Compound ID | EATUPk9bwjo |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5- |
| InChIKey | XBOWOKOGHZCGDS-WAYWQWQTSA-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 | Kpo5WzGn89x |
|---|---|
| Name | 7-Decenoic acid, 4-oxo-, ethyl ester, (Z)- |
| 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/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5- |
| InChIKey | XBOWOKOGHZCGDS-WAYWQWQTSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(=O)(CCC(=O)CC\C=C/CC)OCC |