| SpectraBase Compound ID | CsfvxEucWei |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-4-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-8-9-15(2)14-16/h5-6,8-12,14H,3-4,7,13H2,1-2H3 |
| InChIKey | ZDAZNMUIFRMHJW-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 | Acud7s99hpM |
|---|---|
| Name | Phthalic acid, 3-methylphenyl pentyl 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/c1-3-4-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-8-9-15(2)14-16/h5-6,8-12,14H,3-4,7,13H2,1-2H3 |
| InChIKey | ZDAZNMUIFRMHJW-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(OC1=CC=CC(=C1)C)(=O)C1=C(C=CC=C1)C(OCCCCC)=O |