| SpectraBase Compound ID | JwO6wNeq6V6 |
|---|---|
| InChI | InChI=1S/C16H12Cl2O4/c17-13-5-1-3-11(9-13)15(19)21-7-8-22-16(20)12-4-2-6-14(18)10-12/h1-6,9-10H,7-8H2 |
| InChIKey | IMXKCOSJBIGLJQ-UHFFFAOYSA-N |
| Mol Weight | 339.17 g/mol |
| Molecular Formula | C16H12Cl2O4 |
| Exact Mass | 338.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20LEH9Ldv3q |
|---|---|
| Name | Ethane-1,2-diyl bis(3-chlorobenzoate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.011264262 u |
| Formula | C16H12Cl2O4 |
| InChI | InChI=1S/C16H12Cl2O4/c17-13-5-1-3-11(9-13)15(19)21-7-8-22-16(20)12-4-2-6-14(18)10-12/h1-6,9-10H,7-8H2 |
| InChIKey | IMXKCOSJBIGLJQ-UHFFFAOYSA-N |
| Molecular Weight | 339.174 g/mol |
| SMILES | C(COC(=O)C1=CC=CC(=C1)Cl)OC(C1=CC(=CC=C1)Cl)=O |