| SpectraBase Compound ID | 9pgAudtnZJZ |
|---|---|
| InChI | InChI=1S/C16H10ClF3O2/c17-13-5-7-14(8-6-13)22-15(21)9-4-11-2-1-3-12(10-11)16(18,19)20/h1-10H/b9-4+ |
| InChIKey | KGEZOYSXBMQTOI-RUDMXATFSA-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 | IRd9DyPGiuP |
|---|---|
| Name | Trans-3-trifluoromethylcinnamic acid, 4-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/c17-13-5-7-14(8-6-13)22-15(21)9-4-11-2-1-3-12(10-11)16(18,19)20/h1-10H/b9-4+ |
| InChIKey | KGEZOYSXBMQTOI-RUDMXATFSA-N |
| Molecular Weight | 326.702 g/mol |
| SMILES | C1(=CC=CC(=C1)\C=C\C(OC1=CC=C(C=C1)Cl)=O)C(F)(F)F |