| SpectraBase Compound ID | E4inEab1HPL |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-5-7-12-18(6-2)16-24-20(22)14-9-8-13-19(21)23-15-10-11-17(3)4/h17-18H,5-16H2,1-4H3 |
| InChIKey | NUMRJSHZMZIOGS-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 | 4AxyNiituRC |
|---|---|
| Name | Adipic acid, 2-ethylhexyl isohexyl 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/c1-5-7-12-18(6-2)16-24-20(22)14-9-8-13-19(21)23-15-10-11-17(3)4/h17-18H,5-16H2,1-4H3 |
| InChIKey | NUMRJSHZMZIOGS-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCC(=O)OCC(CCCC)CC)CC(OCCCC(C)C)=O |