| SpectraBase Compound ID | IjMt2qFNkja |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-5-10-16(14(18)20-6-2,15(19)21-7-3)11-8-9-12-22-13(4)17/h1,8-9H,6-7,10-12H2,2-4H3/b9-8+ |
| InChIKey | FJHRROXUQXNZFG-CMDGGOBGSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C16H22O6 |
| Exact Mass | 310.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFfzWYGKLFc |
|---|---|
| Name | Ethyl (E)-6-acetoxy-2-(ethoxycarbonyl)-2-(prop-2-ynyl)hex-4-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.141638422 u |
| Formula | C16H22O6 |
| InChI | InChI=1S/C16H22O6/c1-5-10-16(14(18)20-6-2,15(19)21-7-3)11-8-9-12-22-13(4)17/h1,8-9H,6-7,10-12H2,2-4H3/b9-8+ |
| InChIKey | FJHRROXUQXNZFG-CMDGGOBGSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)(CC#C)C\C=C\COC(=O)C |