| SpectraBase Compound ID | GDOkXlyXUdk |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-10-15-24-20(22)11-8-9-12-21(23)25-19-16-17(2)13-14-18(19)3/h13-14,16H,4-12,15H2,1-3H3 |
| InChIKey | COIXMUUYDVURFS-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G4bs5m4ZrmQ |
|---|---|
| Name | Adipic acid, 2,5-dimethylphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-10-15-24-20(22)11-8-9-12-21(23)25-19-16-17(2)13-14-18(19)3/h13-14,16H,4-12,15H2,1-3H3 |
| InChIKey | COIXMUUYDVURFS-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | CCCCCCCOC(CCCCC(=O)OC1=C(C=CC(=C1)C)C)=O |