| SpectraBase Compound ID | 6mj4TaYhr7E |
|---|---|
| InChI | InChI=1S/C20H20O4/c1-2-3-15-23-19(21)13-14-20(22)24-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-14H,2-3,15H2,1H3/b14-13+ |
| InChIKey | MATXRMIUEKOVGD-BUHFOSPRSA-N |
| Mol Weight | 324.38 g/mol |
| Molecular Formula | C20H20O4 |
| Exact Mass | 324.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3cHFfZWdcD |
|---|---|
| Name | Fumaric acid, butyl 2-phenylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.136159120 u |
| Formula | C20H20O4 |
| InChI | InChI=1S/C20H20O4/c1-2-3-15-23-19(21)13-14-20(22)24-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-14H,2-3,15H2,1H3/b14-13+ |
| InChIKey | MATXRMIUEKOVGD-BUHFOSPRSA-N |
| Molecular Weight | 324.376 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1C1=CC=CC=C1)=O)(OCCCC)=O |