| SpectraBase Compound ID | IqPtHEAJBn4 |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-6-8-10-11-12-14-18(3)24-20(22)16-15-19(21)23-17-13-9-7-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+ |
| InChIKey | ULOMBBACJVNDJG-FOCLMDBBSA-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 | 6YmBCnUFPin |
|---|---|
| Name | Fumaric acid, 2-decyl hexyl 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/c1-4-6-8-10-11-12-14-18(3)24-20(22)16-15-19(21)23-17-13-9-7-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+ |
| InChIKey | ULOMBBACJVNDJG-FOCLMDBBSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(OC(CCCCCCCC)C)(\C=C\C(OCCCCCC)=O)=O |