| SpectraBase Compound ID | 8qBjZYgbQ7n |
|---|---|
| InChI | InChI=1S/C13H7Cl2FO2/c14-8-1-6-11(12(15)7-8)13(17)18-10-4-2-9(16)3-5-10/h1-7H |
| InChIKey | LHJCKQOWRZMWEK-UHFFFAOYSA-N |
| Mol Weight | 285.1 g/mol |
| Molecular Formula | C13H7Cl2FO2 |
| Exact Mass | 283.980713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOTt6GClNIq |
|---|---|
| Name | Benzoic acid, 2,4-dichloro-, 4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.980713026 u |
| Formula | C13H7Cl2FO2 |
| InChI | InChI=1S/C13H7Cl2FO2/c14-8-1-6-11(12(15)7-8)13(17)18-10-4-2-9(16)3-5-10/h1-7H |
| InChIKey | LHJCKQOWRZMWEK-UHFFFAOYSA-N |
| Molecular Weight | 285.101 g/mol |
| SMILES | C1(C(OC=2C=CC(=CC2)F)=O)=C(C=C(C=C1)Cl)Cl |