SpectraBase Spectrum ID |
LCWObrOL2aJ |
Name |
3-Fluoro-5-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/c15-10-1-3-12(4-2-10)20-13(21)8-5-9(14(17,18)19)7-11(16)6-8/h1-7H,(H,20,21) |
InChIKey |
SOPFRYSXMODMRA-UHFFFAOYSA-N |
Molecular Weight |
362.122 g/mol |
SMILES |
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)NC1=CC=C(C=C1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819066 |