| SpectraBase Compound ID | 2jaB2a8jwvD |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-15-9-11-19(13-17(15)3)25-21(23)7-5-6-8-22(24)26-20-12-10-16(2)18(4)14-20/h9-14H,5-8H2,1-4H3 |
| InChIKey | QFCZJXOGHJQBNC-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 | GbDnVxf8HpS |
|---|---|
| Name | Adipic acid, di(3,4-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/c1-15-9-11-19(13-17(15)3)25-21(23)7-5-6-8-22(24)26-20-12-10-16(2)18(4)14-20/h9-14H,5-8H2,1-4H3 |
| InChIKey | QFCZJXOGHJQBNC-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | CC1=C(C)C=CC(=C1)OC(CCCCC(=O)OC1=CC(=C(C=C1)C)C)=O |