SpectraBase Spectrum ID |
BFe3dVoD5u0 |
Name |
Benzamide, 4-trifluoromethyl-N-(2-bromophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
342.981961402 u |
Formula |
C14H9BrF3NO |
InChI |
InChI=1S/C14H9BrF3NO/c15-11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)14(16,17)18/h1-8H,(H,19,20) |
InChIKey |
NLBBFOBACIUAMA-UHFFFAOYSA-N |
Molecular Weight |
344.131 g/mol |
SMILES |
C1(=CC=C(C=C1)C(F)(F)F)C(NC1=CC=CC=C1Br)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925745 |