| SpectraBase Compound ID | 15B0G9NPOZ2 |
|---|---|
| InChI | InChI=1S/C20H12Cl2O4/c21-15-5-1-3-7-17(15)25-19(23)13-9-11-14(12-10-13)20(24)26-18-8-4-2-6-16(18)22/h1-12H |
| InChIKey | AFUWEWUKLMWNRF-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 | 7pbtrFmxgSQ |
|---|---|
| Name | Terephthalic acid, di(2-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/c21-15-5-1-3-7-17(15)25-19(23)13-9-11-14(12-10-13)20(24)26-18-8-4-2-6-16(18)22/h1-12H |
| InChIKey | AFUWEWUKLMWNRF-UHFFFAOYSA-N |
| Molecular Weight | 387.218 g/mol |
| SMILES | C1=CC(Cl)=C(OC(=O)C2=CC=C(C=C2)C(=O)OC2=CC=CC=C2Cl)C=C1 |