| SpectraBase Compound ID | 8Fa1WO6IKZm |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-5-15-23(16-6-2)21-29-25(27)19-13-11-9-10-12-14-20-26(28)30-22-24(17-7-3)18-8-4/h23-24H,5-22H2,1-4H3 |
| InChIKey | ZMNXATLFJJQIPI-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 | BdOYDyl6JxP |
|---|---|
| Name | Sebacic acid, di(2-propylpentyl) 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/c1-5-15-23(16-6-2)21-29-25(27)19-13-11-9-10-12-14-20-26(28)30-22-24(17-7-3)18-8-4/h23-24H,5-22H2,1-4H3 |
| InChIKey | ZMNXATLFJJQIPI-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCC(CCC)CCC)=O |