![5-Hexenoic acid, 6-[2-(1-octenyl)phenyl]-, (Z,Z)-](/api/spectrum/B6CAusnD0SR/structure.png?h=300&w=458 "5-Hexenoic acid, 6-[2-(1-octenyl)phenyl]-, (Z,Z)-")
| SpectraBase Compound ID | 28duzaGvFT3 |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-2-3-4-5-6-8-13-18-15-11-12-16-19(18)14-9-7-10-17-20(21)22/h8-9,11-16H,2-7,10,17H2,1H3,(H,21,22)/b13-8-,14-9- |
| InChIKey | YWEYXQHCVGWPCT-QKPPEBSVSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6CAusnD0SR |
|---|---|
| Name | 5-Hexenoic acid, 6-[2-(1-octenyl)phenyl]-, (Z,Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-2-3-4-5-6-8-13-18-15-11-12-16-19(18)14-9-7-10-17-20(21)22/h8-9,11-16H,2-7,10,17H2,1H3,(H,21,22)/b13-8-,14-9- |
| InChIKey | YWEYXQHCVGWPCT-QKPPEBSVSA-N |
| SMILES | C(=O)(O)CCC\C=C/C=1C(\C=C/CCCCCC)=CC=CC1 |