| SpectraBase Compound ID | 4WCX53JFuaC |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-4-7-9-10-11-12-13-14-15-16-20-25-31-27(29)23-18-17-19-24-28(30)32-26(21-6-3)22-8-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | NZCTZGDTSODLLL-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H54O4 |
| Exact Mass | 454.40221 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 | 2ObjA8mXwOZ |
|---|---|
| Name | Pimelic acid, 4-octyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.402210215 u |
| Formula | C28H54O4 |
| InChI | InChI=1S/C28H54O4/c1-4-7-9-10-11-12-13-14-15-16-20-25-31-27(29)23-18-17-19-24-28(30)32-26(21-6-3)22-8-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | NZCTZGDTSODLLL-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(OC(CCCC)CCC)(=O)CCCCCC(OCCCCCCCCCCCCC)=O |