| SpectraBase Compound ID | LOHgikekHbM |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-6-23(7-2)19-20-24(8-3)30-26(28)18-14-12-10-9-11-13-17-25(27)29-21-15-16-22(4)5/h22-24H,6-21H2,1-5H3 |
| InChIKey | PHEXCORQVZVHNS-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LB7JhMBXUY |
|---|---|
| Name | Sebacic acid, 6-ethyloct-3-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.370910086 u |
| Formula | C26H50O4 |
| InChI | InChI=1S/C26H50O4/c1-6-23(7-2)19-20-24(8-3)30-26(28)18-14-12-10-9-11-13-17-25(27)29-21-15-16-22(4)5/h22-24H,6-21H2,1-5H3 |
| InChIKey | PHEXCORQVZVHNS-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCC(C)C)=O |