| SpectraBase Compound ID | 5e2wEqbo7Ha |
|---|---|
| InChI | InChI=1S/C31H60O4/c1-3-5-7-9-11-12-13-14-17-21-25-29-35-31(33)27-23-19-16-15-18-22-26-30(32)34-28-24-20-10-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | IFISEPCUPYTUDC-UHFFFAOYSA-N |
| Mol Weight | 496.8 g/mol |
| Molecular Formula | C31H60O4 |
| Exact Mass | 496.44916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LauQDM51Vj0 |
|---|---|
| Name | Sebacic acid, octyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 496.449160408 u |
| Formula | C31H60O4 |
| InChI | InChI=1S/C31H60O4/c1-3-5-7-9-11-12-13-14-17-21-25-29-35-31(33)27-23-19-16-15-18-22-26-30(32)34-28-24-20-10-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | IFISEPCUPYTUDC-UHFFFAOYSA-N |
| Molecular Weight | 496.817 g/mol |
| SMILES | C(CCCCCC(OCCCCCCCC)=O)CCC(OCCCCCCCCCCCCC)=O |