| SpectraBase Compound ID | DzQqQ6v8IHR |
|---|---|
| InChI | InChI=1S/C20H12Cl2O4/c21-13-5-3-7-15(11-13)25-19(23)17-9-1-2-10-18(17)20(24)26-16-8-4-6-14(22)12-16/h1-12H |
| InChIKey | JZJHZNFWXAJEOK-UHFFFAOYSA-N |
| Mol Weight | 387.22 g/mol |
| Molecular Formula | C20H12Cl2O4 |
| Exact Mass | 386.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nYHhaojarw |
|---|---|
| Name | Phthalic acid, di(3-chlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.011264262 u |
| Formula | C20H12Cl2O4 |
| InChI | InChI=1S/C20H12Cl2O4/c21-13-5-3-7-15(11-13)25-19(23)17-9-1-2-10-18(17)20(24)26-16-8-4-6-14(22)12-16/h1-12H |
| InChIKey | JZJHZNFWXAJEOK-UHFFFAOYSA-N |
| Molecular Weight | 387.218 g/mol |
| SMILES | C1=C(C=CC=C1Cl)OC(C1=C(C=CC=C1)C(=O)OC1=CC(=CC=C1)Cl)=O |