| SpectraBase Compound ID | 8HFtlFebOsa |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-3-15-9-5-7-11-17(15)23-19(21)13-14-20(22)24-18-12-8-6-10-16(18)4-2/h13-18H,3-12H2,1-2H3/b14-13+ |
| InChIKey | PMYKEBZCSPZZIZ-BUHFOSPRSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Vf9zqN5OTj |
|---|---|
| Name | Fumaric acid, di(2-ethylcyclohexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-3-15-9-5-7-11-17(15)23-19(21)13-14-20(22)24-18-12-8-6-10-16(18)4-2/h13-18H,3-12H2,1-2H3/b14-13+ |
| InChIKey | PMYKEBZCSPZZIZ-BUHFOSPRSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C(C1C(CCCC1)OC(\C=C\C(OC1C(CC)CCCC1)=O)=O)C |