SpectraBase Spectrum ID |
IJ2uwe1HNhX |
Name |
3-Fluoro-6-trifluoromethylbenzamide, N-(4-bromophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
360.972539533 u |
Formula |
C14H8BrF4NO |
InChI |
InChI=1S/C14H8BrF4NO/c15-8-1-4-10(5-2-8)20-13(21)11-7-9(16)3-6-12(11)14(17,18)19/h1-7H,(H,20,21) |
InChIKey |
DWRZGTBIEFFRQQ-UHFFFAOYSA-N |
Molecular Weight |
362.122 g/mol |
SMILES |
C1(=CC=C(C=C1)NC(C1=C(C(F)(F)F)C=CC(=C1)F)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856877 |