| SpectraBase Compound ID | 2K6OlsDt067 |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-4-13-23-19(21)15-9-5-6-10-16(15)20(22)25-18-12-8-7-11-17(18)24-14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | ZZHNXMWIXYCLEI-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 | 35XfJTYdux7 |
|---|---|
| Name | Phthalic acid, 2-isopropoxyphenyl propyl 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/c1-4-13-23-19(21)15-9-5-6-10-16(15)20(22)25-18-12-8-7-11-17(18)24-14(2)3/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | ZZHNXMWIXYCLEI-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | CCCOC(C1=C(C(OC2=C(C=CC=C2)OC(C)C)=O)C=CC=C1)=O |