| SpectraBase Compound ID | 2gZUHvypJW4 |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-4-7-9-10-11-12-13-14-18-23-29-25(27)21-16-15-17-22-26(28)30-24(19-6-3)20-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | NSCKGFOWUCFGSL-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 | Jq9EwxEAlmJ |
|---|---|
| Name | Pimelic acid, 4-octyl undecyl 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/c1-4-7-9-10-11-12-13-14-18-23-29-25(27)21-16-15-17-22-26(28)30-24(19-6-3)20-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | NSCKGFOWUCFGSL-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(OC(CCCC)CCC)(=O)CCCCCC(OCCCCCCCCCCC)=O |