| SpectraBase Compound ID | 3Xv3AQ3JqVG |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-13(2)12-23-19(21)17-7-5-6-8-18(17)20(22)24-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3 |
| InChIKey | GFIYONRZDMTEBU-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 | 9jysRhUuzOD |
|---|---|
| Name | Phthalic 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)17-7-5-6-8-18(17)20(22)24-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3 |
| InChIKey | GFIYONRZDMTEBU-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | CC(C)COC(C=1C(C(OC2=CC=C(C(=C2)C)C)=O)=CC=CC1)=O |