| SpectraBase Compound ID | 5rVpWfgVnDk |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-15-7-5-9-17(13-15)23-19(21)11-3-4-12-20(22)24-18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3 |
| InChIKey | XUQGNPXFENKWIR-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lc1LPbJhug3 |
|---|---|
| Name | Adipic acid, di(3-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-15-7-5-9-17(13-15)23-19(21)11-3-4-12-20(22)24-18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3 |
| InChIKey | XUQGNPXFENKWIR-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=C(C=CC=C1C)OC(=O)CCCCC(OC1=CC(C)=CC=C1)=O |