| SpectraBase Compound ID | Axy2IR59JbK |
|---|---|
| InChI | InChI=1S/C20H20O4/c1-13-7-14(2)10-17(9-13)23-19(21)5-6-20(22)24-18-11-15(3)8-16(4)12-18/h5-12H,1-4H3/b6-5+ |
| InChIKey | NYIVWHPQBIBSKZ-AATRIKPKSA-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 | 9iF0QLCNu1s |
|---|---|
| Name | Fumaric acid, di(3,5-dimethylphenyl) 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/c1-13-7-14(2)10-17(9-13)23-19(21)5-6-20(22)24-18-11-15(3)8-16(4)12-18/h5-12H,1-4H3/b6-5+ |
| InChIKey | NYIVWHPQBIBSKZ-AATRIKPKSA-N |
| Molecular Weight | 324.376 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)OC(\C=C\C(OC1=CC(=CC(=C1)C)C)=O)=O |