![2-Chloro-N-[2-(4-chlorophenyl)ethyl]acetamide, tfa derivative](/api/spectrum/9rJZ6kvQa8V/structure.png?h=300&w=458 "2-Chloro-N-[2-(4-chlorophenyl)ethyl]acetamide, tfa derivative")
| SpectraBase Compound ID | 9Z16ImjyC3x |
|---|---|
| InChI | InChI=1S/C12H10Cl2F3NO2/c13-7-10(19)18(11(20)12(15,16)17)6-5-8-1-3-9(14)4-2-8/h1-4H,5-7H2 |
| InChIKey | LCVXBNUDVVMUIA-UHFFFAOYSA-N |
| Mol Weight | 328.12 g/mol |
| Molecular Formula | C12H10Cl2F3NO2 |
| Exact Mass | 327.004068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rJZ6kvQa8V |
|---|---|
| Name | 2-Chloro-N-[2-(4-chlorophenyl)ethyl]acetamide, tfa derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.004068453 u |
| Formula | C12H10Cl2F3NO2 |
| InChI | InChI=1S/C12H10Cl2F3NO2/c13-7-10(19)18(11(20)12(15,16)17)6-5-8-1-3-9(14)4-2-8/h1-4H,5-7H2 |
| InChIKey | LCVXBNUDVVMUIA-UHFFFAOYSA-N |
| Molecular Weight | 328.118 g/mol |
| SMILES | C(Cl)C(=O)N(CCC1=CC=C(C=C1)Cl)C(C(F)(F)F)=O |