![[5-Chloranyl-2-[2,2,2-tris(fluoranyl)ethylamino]phenyl]-phenyl-methanone](/api/spectrum/EsUCTREbIfD/structure.png?h=300&w=458 "[5-Chloranyl-2-[2,2,2-tris(fluoranyl)ethylamino]phenyl]-phenyl-methanone")
| SpectraBase Compound ID | F0i0Efg2M9y |
|---|---|
| InChI | InChI=1S/C15H11ClF3NO/c16-11-6-7-13(20-9-15(17,18)19)12(8-11)14(21)10-4-2-1-3-5-10/h1-8,20H,9H2 |
| InChIKey | MKBQTVZIYPYTSC-UHFFFAOYSA-N |
| Mol Weight | 313.71 g/mol |
| Molecular Formula | C15H11ClF3NO |
| Exact Mass | 313.048126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsUCTREbIfD |
|---|---|
| Name | [5-Chloranyl-2-[2,2,2-tris(fluoranyl)ethylamino]phenyl]-phenyl-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.048126166 u |
| Formula | C15H11ClF3NO |
| InChI | InChI=1S/C15H11ClF3NO/c16-11-6-7-13(20-9-15(17,18)19)12(8-11)14(21)10-4-2-1-3-5-10/h1-8,20H,9H2 |
| InChIKey | MKBQTVZIYPYTSC-UHFFFAOYSA-N |
| Molecular Weight | 313.707 g/mol |
| SMILES | C=1(C(=O)C2=CC=CC=C2)C(NCC(F)(F)F)=CC=C(C1)Cl |