| SpectraBase Compound ID | 4BzTk6JAfdL |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-5-18(4)14-15-23-19(21)12-10-8-6-7-9-11-13-20(22)24-16-17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey | KNYJOXPFYIHDSP-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 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 | 6kLJ3gcMRzE |
|---|---|
| Name | Sebacic acid, isobutyl 3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-5-18(4)14-15-23-19(21)12-10-8-6-7-9-11-13-20(22)24-16-17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey | KNYJOXPFYIHDSP-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCCCCCC(OCC(C)C)=O)(OCCC(CC)C)=O |