![2-Cyano-N-[2-(trifluoromethyl)phenyl]acetamide](/api/spectrum/B5yOs0HmKNi/structure.png?h=300&w=458 "2-Cyano-N-[2-(trifluoromethyl)phenyl]acetamide")
| SpectraBase Compound ID | 3FdIPfjMgVx |
|---|---|
| InChI | InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-4-8(7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16) |
| InChIKey | QRMBMSKLEQIKLX-UHFFFAOYSA-N |
| Mol Weight | 228.17 g/mol |
| Molecular Formula | C10H7F3N2O |
| Exact Mass | 228.051047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5yOs0HmKNi |
|---|---|
| Name | 2-Cyano-N-[2-(trifluoromethyl)phenyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.051047341 u |
| Formula | C10H7F3N2O |
| InChI | InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-4-8(7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16) |
| InChIKey | QRMBMSKLEQIKLX-UHFFFAOYSA-N |
| Molecular Weight | 228.174 g/mol |
| SMILES | C(F)(F)(F)C1=C(C=CC=C1)NC(=O)CC#N |