| SpectraBase Compound ID | Ds28Gw6FaBi |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-2-3-4-5-9-15-22-18(20)12-13-19(21)23-16-14-17-10-7-6-8-11-17/h6-8,10-13H,2-5,9,14-16H2,1H3/b13-12+ |
| InChIKey | GATPNGYQGASMFL-OUKQBFOZSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5LygfEiISt |
|---|---|
| Name | Fumaric acid, heptyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-2-3-4-5-9-15-22-18(20)12-13-19(21)23-16-14-17-10-7-6-8-11-17/h6-8,10-13H,2-5,9,14-16H2,1H3/b13-12+ |
| InChIKey | GATPNGYQGASMFL-OUKQBFOZSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OCCCCCCC)=O)(OCCC1=CC=CC=C1)=O |