| SpectraBase Compound ID | ItuUi7OdACw |
|---|---|
| InChI | InChI=1S/C22H18O4/c1-15-12-13-18(14-16(15)2)26-22(24)20-11-7-6-10-19(20)21(23)25-17-8-4-3-5-9-17/h3-14H,1-2H3 |
| InChIKey | JYLLBOOIFIOQEQ-UHFFFAOYSA-N |
| Mol Weight | 346.38 g/mol |
| Molecular Formula | C22H18O4 |
| Exact Mass | 346.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dl1upRJTZBR |
|---|---|
| Name | Phthalic acid, 3,4-dimethylphenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.120509056 u |
| Formula | C22H18O4 |
| InChI | InChI=1S/C22H18O4/c1-15-12-13-18(14-16(15)2)26-22(24)20-11-7-6-10-19(20)21(23)25-17-8-4-3-5-9-17/h3-14H,1-2H3 |
| InChIKey | JYLLBOOIFIOQEQ-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC(=C(C=C1)C)C)=O |