| SpectraBase Compound ID | 5gwGG3pGjTB |
|---|---|
| InChI | InChI=1S/C20H12Cl2O4/c21-15-4-8-17(9-5-15)25-19(23)13-2-1-3-14(12-13)20(24)26-18-10-6-16(22)7-11-18/h1-12H |
| InChIKey | IPAJBGHFUHBDLL-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 | E5hwg3Tmq7U |
|---|---|
| Name | Isophthalic acid, di(4-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/c21-15-4-8-17(9-5-15)25-19(23)13-2-1-3-14(12-13)20(24)26-18-10-6-16(22)7-11-18/h1-12H |
| InChIKey | IPAJBGHFUHBDLL-UHFFFAOYSA-N |
| Molecular Weight | 387.218 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)OC(C1=CC(=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)=O |