| SpectraBase Compound ID | BQO5DF1snnV |
|---|---|
| InChI | InChI=1S/C13H7Cl3FNO2/c14-8-2-1-3-9(15)12(8)18-13(19)20-11-5-4-7(17)6-10(11)16/h1-6H,(H,18,19) |
| InChIKey | MBXJORFVMZDWCQ-UHFFFAOYSA-N |
| Mol Weight | 334.56 g/mol |
| Molecular Formula | C13H7Cl3FNO2 |
| Exact Mass | 332.95264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3v56eJMM7tB |
|---|---|
| Name | 2,6-Dichlorocarbanilic acid, 2-chloro-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.952639730 u |
| Formula | C13H7Cl3FNO2 |
| InChI | InChI=1S/C13H7Cl3FNO2/c14-8-2-1-3-9(15)12(8)18-13(19)20-11-5-4-7(17)6-10(11)16/h1-6H,(H,18,19) |
| InChIKey | MBXJORFVMZDWCQ-UHFFFAOYSA-N |
| Molecular Weight | 334.561 g/mol |
| SMILES | N(C1=C(C=CC=C1Cl)Cl)C(OC=1C=CC(=CC1Cl)F)=O |