| SpectraBase Compound ID | JLlxcM1RYsT |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-4-6-7-15(5-2)14-23-18(20)12-13-19(21)24-17-10-8-16(22-3)9-11-17/h8-13,15H,4-7,14H2,1-3H3/b13-12+ |
| InChIKey | HQIIUFINZJZBAF-OUKQBFOZSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4i9WIrg3bj7 |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-4-6-7-15(5-2)14-23-18(20)12-13-19(21)24-17-10-8-16(22-3)9-11-17/h8-13,15H,4-7,14H2,1-3H3/b13-12+ |
| InChIKey | HQIIUFINZJZBAF-OUKQBFOZSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(\C=C\C(OCC(CC)CCCC)=O)(OC1=CC=C(C=C1)OC)=O |