SpectraBase Spectrum ID |
DG1h4RyrYmX |
Name |
4-Bromo-3-trifluoromethylacetanilide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.966311337 u |
Formula |
C9H7BrF3NO |
InChI |
InChI=1S/C9H7BrF3NO/c1-5(15)14-6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3,(H,14,15) |
InChIKey |
AOHSBSXIGFIMNC-UHFFFAOYSA-N |
Molecular Weight |
282.060 g/mol |
SMILES |
C(F)(F)(F)C1=C(C=CC(=C1)NC(=O)C)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829839 |