| SpectraBase Compound ID | A00jWz0YyyT |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-4-12-22-18(20)15-9-5-6-10-16(15)19(21)23-17-11-7-8-13(2)14(17)3/h5-11H,4,12H2,1-3H3 |
| InChIKey | YRKCGUQRZXGVQK-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ifrcl2o7Tjz |
|---|---|
| Name | Phthalic acid, 2,3-dimethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-4-12-22-18(20)15-9-5-6-10-16(15)19(21)23-17-11-7-8-13(2)14(17)3/h5-11H,4,12H2,1-3H3 |
| InChIKey | YRKCGUQRZXGVQK-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCC)=O)C(OC1=C(C(C)=CC=C1)C)=O |