![(E)-7-phenyl-2-[(E)-5-phenylpent-4-enyl]-6-heptenoic acid](/api/spectrum/LRw9DjEXQg/structure.png?h=300&w=458 "(E)-7-phenyl-2-[(E)-5-phenylpent-4-enyl]-6-heptenoic acid")
| SpectraBase Compound ID | 9AMzQd4X5fG |
|---|---|
| InChI | InChI=1S/C24H28O2/c25-24(26)23(19-11-3-9-17-21-13-5-1-6-14-21)20-12-4-10-18-22-15-7-2-8-16-22/h1-2,5-10,13-18,23H,3-4,11-12,19-20H2,(H,25,26)/b17-9+,18-10+ |
| InChIKey | NKWSDTHNUWBZJU-BEQMOXJMSA-N |
| Mol Weight | 348.49 g/mol |
| Molecular Formula | C24H28O2 |
| Exact Mass | 348.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRw9DjEXQg |
|---|---|
| Name | (E)-7-Phenyl-2-[(E)-5-phenylpent-4-enyl]-6-heptenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.208930140 u |
| Formula | C24H28O2 |
| InChI | InChI=1S/C24H28O2/c25-24(26)23(19-11-3-9-17-21-13-5-1-6-14-21)20-12-4-10-18-22-15-7-2-8-16-22/h1-2,5-10,13-18,23H,3-4,11-12,19-20H2,(H,25,26)/b17-9+,18-10+ |
| InChIKey | NKWSDTHNUWBZJU-BEQMOXJMSA-N |
| Molecular Weight | 348.486 g/mol |
| SMILES | C(=O)(C(CCC\C=C\C1=CC=CC=C1)CCC\C=C\C=1C=CC=CC1)O |