| SpectraBase Compound ID | LNneRhiEHxm |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-4-7-15-19-26-22(24)17-13-11-9-10-12-14-18-23(25)27-20-21(6-3)16-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | NQJNRWZQNZYCRD-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 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 | BPaMHuz575b |
|---|---|
| Name | Sebacic acid, 2-ethylhexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-4-7-15-19-26-22(24)17-13-11-9-10-12-14-18-23(25)27-20-21(6-3)16-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | NQJNRWZQNZYCRD-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCCCCCC(OCC(CCCC)CC)=O)CC(OCCCCC)=O |