| SpectraBase Compound ID | AnF4rASTkVk |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-17(2)23(18(3)4)27-21(25)15-13-11-9-10-12-14-16-22(26)28-24(19(5)6)20(7)8/h17-20,23-24H,9-16H2,1-8H3 |
| InChIKey | QETADEVOTHFWPS-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNlL5vzRvfd |
|---|---|
| Name | Sebacic acid, di(2,4-dimethylpent-3-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-17(2)23(18(3)4)27-21(25)15-13-11-9-10-12-14-16-22(26)28-24(19(5)6)20(7)8/h17-20,23-24H,9-16H2,1-8H3 |
| InChIKey | QETADEVOTHFWPS-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OC(C(C)C)C(C)C)=O |