| SpectraBase Compound ID | LVLRiqk4Oj9 |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-11-16-23-19(21)14-15-20(22)24-17-12-13-18(2)3/h8-9,14-15,18H,4-7,10-13,16-17H2,1-3H3/b9-8+,15-14+ |
| InChIKey | INEJRGMUNCASRS-IDRAWEHWSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KoFXC3dogLD |
|---|---|
| Name | Fumaric acid, dec-4-enyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-11-16-23-19(21)14-15-20(22)24-17-12-13-18(2)3/h8-9,14-15,18H,4-7,10-13,16-17H2,1-3H3/b9-8+,15-14+ |
| InChIKey | INEJRGMUNCASRS-IDRAWEHWSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(OCCC\C=C\CCCCC)(\C=C\C(OCCCC(C)C)=O)=O |