| SpectraBase Compound ID | LxhsaoJnEhG |
|---|---|
| InChI | InChI=1S/C22H42O3/c1-5-9-13-19(7-3)17-21(23)15-11-12-16-22(24)25-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | BOCJIFHPHRRQKZ-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C22H42O3 |
| Exact Mass | 354.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hd9KOwcxPjH |
|---|---|
| Name | di(2-Ethylhexyl)adipate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.313395209 u |
| Formula | C22H42O3 |
| InChI | InChI=1S/C22H42O3/c1-5-9-13-19(7-3)17-21(23)15-11-12-16-22(24)25-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | BOCJIFHPHRRQKZ-UHFFFAOYSA-N |
| Molecular Weight | 354.575 g/mol |
| Nominal Mass | 354 u |
| SMILES | C(C(CCCCC(OCC(CCCC)CC)=O)=O)C(CCCC)CC |