![Diethyl 2-[(2E,5Z)-5-methylhepta-2,5-dienyl]malonate](/api/spectrum/BRe8CDpCI6V/structure.png?h=300&w=458 "Diethyl 2-[(2E,5Z)-5-methylhepta-2,5-dienyl]malonate")
| SpectraBase Compound ID | D15OSWohjbN |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-5-12(4)10-8-9-11-13(14(16)18-6-2)15(17)19-7-3/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-8+,12-5- |
| InChIKey | PBMKZLGIYRNUTJ-OTTRDGPLSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRe8CDpCI6V |
|---|---|
| Name | Diethyl 2-[(2E,5Z)-5-methylhepta-2,5-dienyl]malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-5-12(4)10-8-9-11-13(14(16)18-6-2)15(17)19-7-3/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-8+,12-5- |
| InChIKey | PBMKZLGIYRNUTJ-OTTRDGPLSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)C\C=C\C\C(=C/C)C |