| SpectraBase Compound ID | 1GWX1uDsJwo |
|---|---|
| InChI | InChI=1S/C20H26O5/c1-2-3-4-5-6-7-10-15-24-19(22)13-14-20(23)25-18-12-9-8-11-17(18)16-21/h8-9,11-14,16H,2-7,10,15H2,1H3/b14-13+ |
| InChIKey | SWFXZBKTPGFUBG-BUHFOSPRSA-N |
| Mol Weight | 346.42 g/mol |
| Molecular Formula | C20H26O5 |
| Exact Mass | 346.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnsgwXfB2Ha |
|---|---|
| Name | Fumaric acid, 2-formylphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.178023932 u |
| Formula | C20H26O5 |
| InChI | InChI=1S/C20H26O5/c1-2-3-4-5-6-7-10-15-24-19(22)13-14-20(23)25-18-12-9-8-11-17(18)16-21/h8-9,11-14,16H,2-7,10,15H2,1H3/b14-13+ |
| InChIKey | SWFXZBKTPGFUBG-BUHFOSPRSA-N |
| Molecular Weight | 346.423 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)C=O)=O)(OCCCCCCCCC)=O |