| SpectraBase Compound ID | FqQC0KCabUt |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-14-23-19(21)17-12-6-7-13-18(17)20(22)24-15-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,8,11,14-15H2,1H3 |
| InChIKey | KCQLXNDYEIGAMT-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 | FZv8NPMIaKv |
|---|---|
| Name | Phthalic acid, 3-phenylpropyl 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/c1-2-14-23-19(21)17-12-6-7-13-18(17)20(22)24-15-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,8,11,14-15H2,1H3 |
| InChIKey | KCQLXNDYEIGAMT-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | CCCOC(C1=CC=CC=C1C(OCCCC1=CC=CC=C1)=O)=O |