| SpectraBase Compound ID | IUJT3WLyL21 |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-15-9-16(2)12-19(11-15)25-21(23)7-5-6-8-22(24)26-20-13-17(3)10-18(4)14-20/h9-14H,5-8H2,1-4H3 |
| InChIKey | ITXDCSBQGVMMRO-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrWuOchFeMw |
|---|---|
| Name | Adipic acid, di(3,5-dimethylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-15-9-16(2)12-19(11-15)25-21(23)7-5-6-8-22(24)26-20-13-17(3)10-18(4)14-20/h9-14H,5-8H2,1-4H3 |
| InChIKey | ITXDCSBQGVMMRO-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(CC(=O)OC1=CC(=CC(=C1)C)C)CCC(OC1=CC(C)=CC(C)=C1)=O |