| SpectraBase Compound ID | 2F59DcB1h8m |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-2-3-4-5-9-16-23-19(21)14-15-20(22)24-17-10-13-18-11-7-6-8-12-18/h6-8,11-12,14-15H,2-5,9-10,13,16-17H2,1H3/b15-14+ |
| InChIKey | GZPMQVFCLVNMAT-CCEZHUSRSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZy6HqZe2vs |
|---|---|
| Name | Fumaric acid, heptyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-2-3-4-5-9-16-23-19(21)14-15-20(22)24-17-10-13-18-11-7-6-8-12-18/h6-8,11-12,14-15H,2-5,9-10,13,16-17H2,1H3/b15-14+ |
| InChIKey | GZPMQVFCLVNMAT-CCEZHUSRSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C(OC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O)CCCCCC |