| SpectraBase Compound ID | CDr3hIrE8hw |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-4-7-9-10-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(6-3)20-16-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | LSOPGOFLJQYEFT-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 | XvNiXuw1Ms |
|---|---|
| Name | Sebacic acid, octyl oct-3-yl 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/c1-4-7-9-10-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(6-3)20-16-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | LSOPGOFLJQYEFT-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCCCCCCC)=O |