| SpectraBase Compound ID | BgsbBmObnBJ |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-13-23-19(21)17-7-5-6-8-18(17)20(22)24-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | QYMPZRDYMGOBBY-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 | 2QtH7OQQVNx |
|---|---|
| Name | Phthalic acid, 4-isopropylphenyl propyl 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/c1-4-13-23-19(21)17-7-5-6-8-18(17)20(22)24-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | QYMPZRDYMGOBBY-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC1=CC=C(C(C)C)C=C1)=O)(=O)OCCC |