| SpectraBase Compound ID | JyX9FF7Llvk |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-13-16-23-18(21)14-15-19(22)24-17-20(2,3)4/h14-15H,5-13,16-17H2,1-4H3/b15-14+ |
| InChIKey | HGCBDIVKAJLNGR-CCEZHUSRSA-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 | NBi6i9faQ0 |
|---|---|
| Name | Fumaric acid, neopentyl undecyl ester |
| 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/c1-5-6-7-8-9-10-11-12-13-16-23-18(21)14-15-19(22)24-17-20(2,3)4/h14-15H,5-13,16-17H2,1-4H3/b15-14+ |
| InChIKey | HGCBDIVKAJLNGR-CCEZHUSRSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCC |