SpectraBase Spectrum ID |
IdjSRIW7s6B |
Name |
Benzamide, N-[2,2,2-trifluoro-1-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]amino]ethyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
430.072766448 u |
Formula |
C17H11F9N2O |
InChI |
InChI=1S/C17H11F9N2O/c18-14(19,20)11-7-4-8-12(9-11)27-15(16(21,22)23,17(24,25)26)28-13(29)10-5-2-1-3-6-10/h1-9,27H,(H,28,29) |
InChIKey |
RQOGRVXZVYCKRQ-UHFFFAOYSA-N |
Molecular Weight |
430.274 g/mol |
SMILES |
C(C1=CC=CC=C1)(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(C(F)(F)F)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894865 |