| SpectraBase Compound ID | GzgeDgRL7vt |
|---|---|
| InChI | InChI=1S/C16H10ClF3O2/c17-13-5-2-6-14(10-13)22-15(21)8-7-11-3-1-4-12(9-11)16(18,19)20/h1-10H/b8-7+ |
| InChIKey | UWBRLDADIUCDLU-BQYQJAHWSA-N |
| Mol Weight | 326.7 g/mol |
| Molecular Formula | C16H10ClF3O2 |
| Exact Mass | 326.032142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J58XllWB1yK |
|---|---|
| Name | Trans-3-trifluoromethylcinnamic acid, 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.032141749 u |
| Formula | C16H10ClF3O2 |
| InChI | InChI=1S/C16H10ClF3O2/c17-13-5-2-6-14(10-13)22-15(21)8-7-11-3-1-4-12(9-11)16(18,19)20/h1-10H/b8-7+ |
| InChIKey | UWBRLDADIUCDLU-BQYQJAHWSA-N |
| Molecular Weight | 326.702 g/mol |
| SMILES | C(C1=CC=CC(=C1)\C=C\C(=O)OC1=CC=CC(=C1)Cl)(F)(F)F |