SpectraBase Spectrum ID |
JpWxrQHSpBg |
Name |
N-[2,2,2-Trifluoro-1-(4-fluorophenyl)-1-phenyl-ethyl]acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.093326694 u |
Formula |
C16H13F4NO |
InChI |
InChI=1S/C16H13F4NO/c1-11(22)21-15(16(18,19)20,12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10H,1H3,(H,21,22) |
InChIKey |
CWOLQYXNVIQNAK-UHFFFAOYSA-N |
Molecular Weight |
311.280 g/mol |
SMILES |
C(C(F)(F)F)(NC(=O)C)(C=1C=CC(=CC1)F)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850765 |