![2-[(4E)-hepta-4,6-dienyl]malonic acid diethyl ester](/api/spectrum/9aHJBueY8Nw/structure.png?h=300&w=458 "2-[(4E)-hepta-4,6-dienyl]malonic acid diethyl ester")
| SpectraBase Compound ID | 3HTBv49QvTg |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3/b8-7+ |
| InChIKey | ZAJWAMURCKTXIS-BQYQJAHWSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9aHJBueY8Nw |
|---|---|
| Name | 2-[(4E)-Hepta-4,6-dienyl]malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3/b8-7+ |
| InChIKey | ZAJWAMURCKTXIS-BQYQJAHWSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)CCC\C=C\C=C |