| SpectraBase Compound ID | HtECRsoInkx |
|---|---|
| InChI | InChI=1S/C13H7Cl3O2/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7H |
| InChIKey | PMRFDDONDWDTFW-UHFFFAOYSA-N |
| Mol Weight | 301.56 g/mol |
| Molecular Formula | C13H7Cl3O2 |
| Exact Mass | 299.951163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFLWFva7e7r |
|---|---|
| Name | o-Chlorobenzoic acid, 2,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.951162563 u |
| Formula | C13H7Cl3O2 |
| InChI | InChI=1S/C13H7Cl3O2/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7H |
| InChIKey | PMRFDDONDWDTFW-UHFFFAOYSA-N |
| Molecular Weight | 301.556 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC=1C(=CC(=CC1)Cl)Cl)=O)Cl |