| SpectraBase Compound ID | 52IYRgFybK |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3 |
| InChIKey | AQILSUGORJFNIP-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 | 5nENdOHjd1p |
|---|---|
| Name | Phthalic acid, 2-phenylethyl 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/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3 |
| InChIKey | AQILSUGORJFNIP-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(C1=C(C(OCCC)=O)C=CC=C1)(OCCC1=CC=CC=C1)=O |