| SpectraBase Compound ID | Ffdfig87JYg |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-3-16-10-5-7-12-18(16)24-20(22)14-9-15-21(23)25-19-13-8-6-11-17(19)4-2/h16-19H,3-15H2,1-2H3 |
| InChIKey | KEIQQKWAURBMFG-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwWrqY9weWa |
|---|---|
| Name | Glutaric acid, di(2-ethylcyclohexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-3-16-10-5-7-12-18(16)24-20(22)14-9-15-21(23)25-19-13-8-6-11-17(19)4-2/h16-19H,3-15H2,1-2H3 |
| InChIKey | KEIQQKWAURBMFG-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC(OC1C(CC)CCCC1)=O)C(OC1C(CC)CCCC1)=O |