| SpectraBase Compound ID | 4AIuVDt89nN |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-6-20-16(18)15(17(19)21-7-2)12-14(5)11-9-8-10-13(3)4/h11,15H,3,6-10,12H2,1-2,4-5H3/b14-11+ |
| InChIKey | BAYGYRXIUXDYBO-SDNWHVSQSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XASF9dDC9L |
|---|---|
| Name | 2-(2,7-Dimethylocta-2,7-dienyl)malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-6-20-16(18)15(17(19)21-7-2)12-14(5)11-9-8-10-13(3)4/h11,15H,3,6-10,12H2,1-2,4-5H3/b14-11+ |
| InChIKey | BAYGYRXIUXDYBO-SDNWHVSQSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C=C(C)CCC\C=C\(CC(C(OCC)=O)C(=O)OCC)C |