| SpectraBase Compound ID | IBAfOuImNuj |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-13(2)12-23-19(21)16-6-8-17(9-7-16)20(22)24-18-10-5-14(3)15(4)11-18/h5-11,13H,12H2,1-4H3 |
| InChIKey | AFSYBVVKJKUSCM-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 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 | 8wMIZhna8UP |
|---|---|
| Name | Terephthalic acid, 3,4-dimethylphenyl isobutyl 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/c1-13(2)12-23-19(21)16-6-8-17(9-7-16)20(22)24-18-10-5-14(3)15(4)11-18/h5-11,13H,12H2,1-4H3 |
| InChIKey | AFSYBVVKJKUSCM-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC(C)C)=O)C(OC1=CC=C(C(=C1)C)C)=O |