| SpectraBase Compound ID | BxPvSbWGRsw |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-7-8-9-10-11-13-18(4)24-20(22)15-14-19(21)23-16-17(3)12-6-2/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+ |
| InChIKey | RDNUWXBDWUHTME-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 | GXKssSjvw0 |
|---|---|
| Name | Fumaric acid, 2-methylpentyl dec-2-yl 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/c1-5-7-8-9-10-11-13-18(4)24-20(22)15-14-19(21)23-16-17(3)12-6-2/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+ |
| InChIKey | RDNUWXBDWUHTME-CCEZHUSRSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(\C=C\C(OC(CCCCCCCC)C)=O)(OCC(C)CCC)=O |