| SpectraBase Compound ID | 2kAssR1yQdP |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-14(2)12-23-19(21)17-9-4-5-10-18(17)20(22)24-13-16-8-6-7-15(3)11-16/h4-11,14H,12-13H2,1-3H3 |
| InChIKey | NQPHCJMGGYVMHT-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 | 2DNFfF9SiAf |
|---|---|
| Name | Phthalic acid, 3-methylbenzyl 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/c1-14(2)12-23-19(21)17-9-4-5-10-18(17)20(22)24-13-16-8-6-7-15(3)11-16/h4-11,14H,12-13H2,1-3H3 |
| InChIKey | NQPHCJMGGYVMHT-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=CC=CC(=C1C(OCC(C)C)=O)C(OCC1=CC=CC(=C1)C)=O |