| SpectraBase Compound ID | BZNNx7HGEIO |
|---|---|
| InChI | InChI=1S/C19H20O5/c1-3-12-23-18(20)16-6-4-5-7-17(16)19(21)24-13-14-8-10-15(22-2)11-9-14/h4-11H,3,12-13H2,1-2H3 |
| InChIKey | IZMHGNQSQJVLIP-UHFFFAOYSA-N |
| Mol Weight | 328.36 g/mol |
| Molecular Formula | C19H20O5 |
| Exact Mass | 328.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3XW1WssxGS |
|---|---|
| Name | Phthalic acid, 4-methoxybenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.131073739 u |
| Formula | C19H20O5 |
| InChI | InChI=1S/C19H20O5/c1-3-12-23-18(20)16-6-4-5-7-17(16)19(21)24-13-14-8-10-15(22-2)11-9-14/h4-11H,3,12-13H2,1-2H3 |
| InChIKey | IZMHGNQSQJVLIP-UHFFFAOYSA-N |
| Molecular Weight | 328.364 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)OCC1=CC=C(OC)C=C1)C(=O)OCCC |