| SpectraBase Compound ID | 3RDU5P7qwR4 |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-3-5-7-9-10-14-18-24-20(22)16-12-11-15-19(21)23-17-13-8-6-4-2/h6,8H,3-5,7,9-18H2,1-2H3/b8-6+ |
| InChIKey | XWTRADSAYBWLTM-SOFGYWHQSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wthe9ykjFx |
|---|---|
| Name | Adipic acid, octyl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-3-5-7-9-10-14-18-24-20(22)16-12-11-15-19(21)23-17-13-8-6-4-2/h6,8H,3-5,7,9-18H2,1-2H3/b8-6+ |
| InChIKey | XWTRADSAYBWLTM-SOFGYWHQSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCC)=O |