| SpectraBase Compound ID | 91ENPIyW1Q1 |
|---|---|
| InChI | InChI=1S/C12H18O5/c1-3-16-11(14)8-6-5-7-10(13)9-12(15)17-4-2/h6,8H,3-5,7,9H2,1-2H3/b8-6+ |
| InChIKey | WLTMTLOIWLJQBK-SOFGYWHQSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C12H18O5 |
| Exact Mass | 242.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ISrQB4LP7k |
|---|---|
| Name | Ethyl (E)-6-oxo-7-ethyloxycarbonylhept-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.115423675 u |
| Formula | C12H18O5 |
| InChI | InChI=1S/C12H18O5/c1-3-16-11(14)8-6-5-7-10(13)9-12(15)17-4-2/h6,8H,3-5,7,9H2,1-2H3/b8-6+ |
| InChIKey | WLTMTLOIWLJQBK-SOFGYWHQSA-N |
| Molecular Weight | 242.271 g/mol |
| SMILES | C(CC\C=C\C(=O)OCC)(=O)CC(OCC)=O |