| SpectraBase Compound ID | 89meEDGli47 |
|---|---|
| InChI | InChI=1S/C22H24O4/c1-15(2)17-5-9-19(10-6-17)25-21(23)13-14-22(24)26-20-11-7-18(8-12-20)16(3)4/h5-16H,1-4H3/b14-13+ |
| InChIKey | SWKAVROCNLXKEH-BUHFOSPRSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C22H24O4 |
| Exact Mass | 352.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DbGeBuuy8h |
|---|---|
| Name | Fumaric acid, di(4-isopropylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.167459249 u |
| Formula | C22H24O4 |
| InChI | InChI=1S/C22H24O4/c1-15(2)17-5-9-19(10-6-17)25-21(23)13-14-22(24)26-20-11-7-18(8-12-20)16(3)4/h5-16H,1-4H3/b14-13+ |
| InChIKey | SWKAVROCNLXKEH-BUHFOSPRSA-N |
| Molecular Weight | 352.430 g/mol |
| SMILES | C(\C=C\C(OC1=CC=C(C=C1)C(C)C)=O)(OC1=CC=C(C(C)C)C=C1)=O |