| SpectraBase Compound ID | 111oCGQtxWE |
|---|---|
| InChI | InChI=1S/C20H20O5/c1-3-4-13-24-19(22)16-10-5-6-11-17(16)20(23)25-18-12-8-7-9-15(18)14(2)21/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | FOTIIKJQFLNAQK-UHFFFAOYSA-N |
| Mol Weight | 340.38 g/mol |
| Molecular Formula | C20H20O5 |
| Exact Mass | 340.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E68Ft4HlsI3 |
|---|---|
| Name | Phthalic acid, 2-acethylphenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.131073739 u |
| Formula | C20H20O5 |
| InChI | InChI=1S/C20H20O5/c1-3-4-13-24-19(22)16-10-5-6-11-17(16)20(23)25-18-12-8-7-9-15(18)14(2)21/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | FOTIIKJQFLNAQK-UHFFFAOYSA-N |
| Molecular Weight | 340.375 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)C(=O)OC=1C=CC=CC1C(C)=O)=O)CCC |