| SpectraBase Compound ID | Ei8vDTs85vN |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-20-13-9-7-12(8-10-13)11-22-17(19)15-6-4-3-5-14(15)16(18)21-2/h3-10H,11H2,1-2H3 |
| InChIKey | WTVGJZFBUXXWIL-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sg5tKk3Gp8 |
|---|---|
| Name | Phthalic acid, 4-methoxybenzyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-20-13-9-7-12(8-10-13)11-22-17(19)15-6-4-3-5-14(15)16(18)21-2/h3-10H,11H2,1-2H3 |
| InChIKey | WTVGJZFBUXXWIL-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OCC1=CC=C(OC)C=C1)=O)C(OC)=O |