| SpectraBase Compound ID | AW4tPcCAwnX |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-15(2)14-25-20(22)18-11-7-6-10-17(18)19(21)24-13-12-23-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3 |
| InChIKey | ZQEPAAJFYDBHML-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 | 16GSsTwqNEI |
|---|---|
| Name | Phthalic acid, isobutyl 2-phenoxyethyl 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/c1-15(2)14-25-20(22)18-11-7-6-10-17(18)19(21)24-13-12-23-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3 |
| InChIKey | ZQEPAAJFYDBHML-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OCCOC1=CC=CC=C1)(OCC(C)C)=O |