| SpectraBase Compound ID | 4m6pqSWJsr8 |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-6-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18(3)14-5-2/h5,18H,2,4,6-17H2,1,3H3 |
| InChIKey | HKCPBOLULPOOGU-UHFFFAOYSA-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 | 14c6rfr89EW |
|---|---|
| Name | Sebacic acid, pent-4-en-2-yl pentyl 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/c1-4-6-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18(3)14-5-2/h5,18H,2,4,6-17H2,1,3H3 |
| InChIKey | HKCPBOLULPOOGU-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CCCCCC(OCCCCC)=O |