| SpectraBase Compound ID | 24MwYN9TkkX |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-3-4-12-24-19(21)17-10-5-6-11-18(17)20(22)25-14-15-8-7-9-16(13-15)23-2/h5-11,13H,3-4,12,14H2,1-2H3 |
| InChIKey | VYQBECNLWYYKAQ-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 | 2SUXFPneQWP |
|---|---|
| Name | Phthalic acid, butyl 3-methoxybenzyl 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/c1-3-4-12-24-19(21)17-10-5-6-11-18(17)20(22)25-14-15-8-7-9-16(13-15)23-2/h5-11,13H,3-4,12,14H2,1-2H3 |
| InChIKey | VYQBECNLWYYKAQ-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCC)=O |