| SpectraBase Compound ID | LxrbrCfLIjU |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-6-8-9-17(7-2)16-25-20(23)14-15-21(24)26-19-12-10-18(11-13-19)22(3,4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey | FZUKCLZQTYFCQV-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6pvfFy6fFE |
|---|---|
| Name | Succinic acid, 2-ethylhexyl cis-4-tert-butylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-6-8-9-17(7-2)16-25-20(23)14-15-21(24)26-19-12-10-18(11-13-19)22(3,4)5/h17-19H,6-16H2,1-5H3 |
| InChIKey | FZUKCLZQTYFCQV-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CC(OCC(CC)CCCC)=O)C(OC1CCC(C(C)(C)C)CC1)=O |