| SpectraBase Compound ID | FlAd3Ke8uKY |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13- |
| InChIKey | QIGLLCHDIZAZFE-YPKPFQOOSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36BdO8HlpBn |
|---|---|
| Name | Diisooctyl maleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13- |
| InChIKey | QIGLLCHDIZAZFE-YPKPFQOOSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | CC(CCCCCOC(\C=C/C(OCCCCCC(C)C)=O)=O)C |