| SpectraBase Compound ID | vNSzTe4oZZ |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-3-4-10-15-23-19(21)17-13-8-9-14-18(17)20(22)24-16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3 |
| InChIKey | ZOGQUVNELUDWTE-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 | J42VhhBOVgI |
|---|---|
| Name | Phthalic acid, hexyl phenyl 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/c1-2-3-4-10-15-23-19(21)17-13-8-9-14-18(17)20(22)24-16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3 |
| InChIKey | ZOGQUVNELUDWTE-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | CCCCCCOC(C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O)=O |