| SpectraBase Compound ID | 2lw5nOUN4Eb |
|---|---|
| InChI | InChI=1S/C20H20O4/c1-13-7-5-9-17(15(13)3)23-19(21)11-12-20(22)24-18-10-6-8-14(2)16(18)4/h5-12H,1-4H3/b12-11+ |
| InChIKey | CSQSWVWAKAKXKA-VAWYXSNFSA-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 | 519GTq3e7kf |
|---|---|
| Name | Fumaric acid, di(2,3-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/c1-13-7-5-9-17(15(13)3)23-19(21)11-12-20(22)24-18-10-6-8-14(2)16(18)4/h5-12H,1-4H3/b12-11+ |
| InChIKey | CSQSWVWAKAKXKA-VAWYXSNFSA-N |
| Molecular Weight | 324.376 g/mol |
| SMILES | C1=CC=C(OC(\C=C\C(OC2=CC=CC(=C2C)C)=O)=O)C(=C1C)C |