| SpectraBase Compound ID | CIRBOlDK2x5 |
|---|---|
| InChI | InChI=1S/C14H8ClF3O2/c15-9-5-7-10(8-6-9)20-13(19)11-3-1-2-4-12(11)14(16,17)18/h1-8H |
| InChIKey | JKWUCDALVOYHGH-UHFFFAOYSA-N |
| Mol Weight | 300.66 g/mol |
| Molecular Formula | C14H8ClF3O2 |
| Exact Mass | 300.016492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iZMMsLAQeM |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.016491685 u |
| Formula | C14H8ClF3O2 |
| InChI | InChI=1S/C14H8ClF3O2/c15-9-5-7-10(8-6-9)20-13(19)11-3-1-2-4-12(11)14(16,17)18/h1-8H |
| InChIKey | JKWUCDALVOYHGH-UHFFFAOYSA-N |
| Molecular Weight | 300.664 g/mol |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)C(OC1=CC=C(C=C1)Cl)=O |