| SpectraBase Compound ID | Bfe3DVOzkEb |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-4-7-8-13-16-21-28-24(26)19-14-11-9-10-12-15-20-25(27)29-22-23(17-5-2)18-6-3/h23H,4-22H2,1-3H3 |
| InChIKey | RTAUNSDOSCLYFR-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 | K8MrhUu0YdN |
|---|---|
| Name | Sebacic acid, heptyl 2-propylpentyl 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/c1-4-7-8-13-16-21-28-24(26)19-14-11-9-10-12-15-20-25(27)29-22-23(17-5-2)18-6-3/h23H,4-22H2,1-3H3 |
| InChIKey | RTAUNSDOSCLYFR-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCCC)=O |