| SpectraBase Compound ID | 4xOChriQzdO |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h4,6H,3,5,7-18H2,1-2H3/b6-4+ |
| InChIKey | SHQQISHGRLYHRG-GQCTYLIASA-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 | AvcxmgtsRH4 |
|---|---|
| Name | Sebacic acid, but-2-enyl hexyl 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/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h4,6H,3,5,7-18H2,1-2H3/b6-4+ |
| InChIKey | SHQQISHGRLYHRG-GQCTYLIASA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCCC)=O |