| SpectraBase Compound ID | CAtfXFS5nTY |
|---|---|
| InChI | InChI=1S/C28H54O5/c1-4-6-8-10-11-12-13-18-25-32-27(29)22-16-14-17-23-28(30)33-26(21-19-24-31-3)20-15-9-7-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | LZIYUSSJLJUDIN-UHFFFAOYSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C28H54O5 |
| Exact Mass | 470.397125 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 | JCZq0dP8NcM |
|---|---|
| Name | Pimelic acid, decyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.397124834 u |
| Formula | C28H54O5 |
| InChI | InChI=1S/C28H54O5/c1-4-6-8-10-11-12-13-18-25-32-27(29)22-16-14-17-23-28(30)33-26(21-19-24-31-3)20-15-9-7-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | LZIYUSSJLJUDIN-UHFFFAOYSA-N |
| Molecular Weight | 470.735 g/mol |
| SMILES | C(OC(CCCCCC)CCCOC)(=O)CCCCCC(OCCCCCCCCCC)=O |