| SpectraBase Compound ID | FxwcD8dZnPu |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-3-11-22-18(20)16-9-4-5-10-17(16)19(21)23-13-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3 |
| InChIKey | XASPOBXBKQUZRG-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 | FeJhJFEawno |
|---|---|
| Name | Phthalic acid, 3-methylbenzyl 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/c1-3-11-22-18(20)16-9-4-5-10-17(16)19(21)23-13-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3 |
| InChIKey | XASPOBXBKQUZRG-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCC)=O)C(OCC1=CC=CC(=C1)C)=O |