| SpectraBase Compound ID | 9eL9QibWsRC |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-3-5-6-7-10-16-12(14)9-8-11(13)15-4-2/h3,5-6,8-9H,1,4,7,10H2,2H3/b6-5+,9-8+ |
| InChIKey | IPZKWHPCZZUSJR-HHWLVVFRSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gplr8H0wdAA |
|---|---|
| Name | Ethyl (E)-hexa-3,5-dien-1-yl fumarate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-3-5-6-7-10-16-12(14)9-8-11(13)15-4-2/h3,5-6,8-9H,1,4,7,10H2,2H3/b6-5+,9-8+ |
| InChIKey | IPZKWHPCZZUSJR-HHWLVVFRSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(\C=C\C(=O)OCC\C=C\C=C)(=O)OCC |