SpectraBase Spectrum ID |
JRinsGGH6ck |
Name |
Benzamide, 2-trifluoromethyl-5-fluoro-N-(2-trifluoromethyl-5-fluorobenzoyl)-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
411.050553836 u |
Formula |
C17H9F8NO2 |
InChI |
InChI=1S/C17H9F8NO2/c1-26(14(27)10-6-8(18)2-4-12(10)16(20,21)22)15(28)11-7-9(19)3-5-13(11)17(23,24)25/h2-7H,1H3 |
InChIKey |
FGYUTSHCYHVZTI-UHFFFAOYSA-N |
Molecular Weight |
411.251 g/mol |
SMILES |
C(N(C)C(=O)C=1C(C(F)(F)F)=CC=C(C1)F)(=O)C=1C=C(C=CC1C(F)(F)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825718 |