| SpectraBase Compound ID | 9PXzT1W3MI0 |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-4-7-8-9-14-17-22-29-25(27)20-15-12-10-11-13-16-21-26(28)30-23-24(18-5-2)19-6-3/h24H,4-23H2,1-3H3 |
| InChIKey | BMDODQXZPAGMPV-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4KqIDqtcU1M |
|---|---|
| Name | Sebacic acid, octyl 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/c1-4-7-8-9-14-17-22-29-25(27)20-15-12-10-11-13-16-21-26(28)30-23-24(18-5-2)19-6-3/h24H,4-23H2,1-3H3 |
| InChIKey | BMDODQXZPAGMPV-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCCCC)=O |