| SpectraBase Compound ID | 3Gkb2w1Qj6h |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-13-16-23-19(21)14-15-20(22)24-18(4)17(2)3/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+ |
| InChIKey | QMJDAWOPAPCFMB-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 | 17FuNfs9g5V |
|---|---|
| Name | Fumaric acid, 3-methylbut-2-yl 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/c1-5-6-7-8-9-10-11-12-13-16-23-19(21)14-15-20(22)24-18(4)17(2)3/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+ |
| InChIKey | QMJDAWOPAPCFMB-CCEZHUSRSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCC)=O |