| SpectraBase Compound ID | AtIrw8Wc5j1 |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-5-8-9-10-15-18-22-29-25(27)20-16-13-11-12-14-17-21-26(28)30-24(7-3)23(4)19-6-2/h23-24H,5-22H2,1-4H3 |
| InChIKey | AJGBIAVJSGKKQW-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 | 6tljWZOZikz |
|---|---|
| Name | Sebacic acid, 4-methylhept-3-yl octyl 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/c1-5-8-9-10-15-18-22-29-25(27)20-16-13-11-12-14-17-21-26(28)30-24(7-3)23(4)19-6-2/h23-24H,5-22H2,1-4H3 |
| InChIKey | AJGBIAVJSGKKQW-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCCCCCCCC)=O |