| SpectraBase Compound ID | AlmIoWUe0ma |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-3-4-7-14-24-19(21)17-8-5-6-9-18(17)20(22)25-16-12-10-15(23-2)11-13-16/h5-6,8-13H,3-4,7,14H2,1-2H3 |
| InChIKey | CNPGUDSQYFSYMC-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Izpqz6uMxaD |
|---|---|
| Name | Phthalic acid, 4-methoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-3-4-7-14-24-19(21)17-8-5-6-9-18(17)20(22)25-16-12-10-15(23-2)11-13-16/h5-6,8-13H,3-4,7,14H2,1-2H3 |
| InChIKey | CNPGUDSQYFSYMC-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | CCCCCOC(C1=C(C(OC2=CC=C(C=C2)OC)=O)C=CC=C1)=O |