| SpectraBase Compound ID | 4lCSw8yRcPr |
|---|---|
| InChI | InChI=1S/C14H10Cl2O2/c1-9-8-12(16)6-7-13(9)18-14(17)10-2-4-11(15)5-3-10/h2-8H,1H3 |
| InChIKey | CWCKEJXDUBCFPY-UHFFFAOYSA-N |
| Mol Weight | 281.14 g/mol |
| Molecular Formula | C14H10Cl2O2 |
| Exact Mass | 280.005785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSdZNQ1Ld5N |
|---|---|
| Name | 4-Chlorobenzoic acid, 4-chloro-2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.005784960 u |
| Formula | C14H10Cl2O2 |
| InChI | InChI=1S/C14H10Cl2O2/c1-9-8-12(16)6-7-13(9)18-14(17)10-2-4-11(15)5-3-10/h2-8H,1H3 |
| InChIKey | CWCKEJXDUBCFPY-UHFFFAOYSA-N |
| Molecular Weight | 281.138 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OC1=CC=C(C=C1C)Cl)Cl |