| SpectraBase Compound ID | DOSU8cerva6 |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-18(2)14-13-17-26-21(24)15-11-9-7-8-10-12-16-22(25)27-23(19(3)4)20(5)6/h18-20,23H,7-17H2,1-6H3 |
| InChIKey | DUCOCKOBWLTADG-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IO5O9vOfRgr |
|---|---|
| Name | Sebacic acid, 2,4-dimethylpent-3-yl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-18(2)14-13-17-26-21(24)15-11-9-7-8-10-12-16-22(25)27-23(19(3)4)20(5)6/h18-20,23H,7-17H2,1-6H3 |
| InChIKey | DUCOCKOBWLTADG-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCC(C)C)=O |