| SpectraBase Compound ID | F1YxrILtYR6 |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-14(2)12-24-19(21)17-9-4-5-10-18(17)20(22)25-13-15-7-6-8-16(11-15)23-3/h4-11,14H,12-13H2,1-3H3 |
| InChIKey | XFILQVWGXWVPSL-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 | Bz3g5JpyU07 |
|---|---|
| Name | Phthalic acid, isobutyl 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/c1-14(2)12-24-19(21)17-9-4-5-10-18(17)20(22)25-13-15-7-6-8-16(11-15)23-3/h4-11,14H,12-13H2,1-3H3 |
| InChIKey | XFILQVWGXWVPSL-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCC(C)C)=O |