| SpectraBase Compound ID | BEF2QCLcshw |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-6-7-8-9-14-17-20-28-23(26)18-15-12-10-11-13-16-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3 |
| InChIKey | BSVVYHSMJLMTTI-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 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 | HDEiMAwwOwT |
|---|---|
| Name | Sebacic acid, 2,4-dimethylpent-3-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-6-7-8-9-14-17-20-28-23(26)18-15-12-10-11-13-16-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3 |
| InChIKey | BSVVYHSMJLMTTI-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCCCCC)=O |