SpectraBase Spectrum ID |
E9dWqmtdC4j |
Name |
Benzamide, N-(4-bromophenyl)-3-trifluoromethyl- |
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/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20) |
InChIKey |
JDUHFWWSDVISOZ-UHFFFAOYSA-N |
Molecular Weight |
344.131 g/mol |
SMILES |
C1=CC=C(C=C1C(F)(F)F)C(NC1=CC=C(C=C1)Br)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894013 |