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4-Bromo-2-(trifluoromethoxy)aniline, ac derivative

View entire compound with spectra: 1 FTIR

4-Bromo-2-(trifluoromethoxy)aniline, ac derivative
SpectraBase Compound ID KbhLBHV5Swu
InChI InChI=1S/C9H7BrF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKey SHHWWZMWTUTJPY-UHFFFAOYSA-N
Mol Weight 298.06 g/mol
Molecular Formula C9H7BrF3NO2
Exact Mass 296.961226 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 71u1BApcUjE
Name 4-Bromo-2-(trifluoromethoxy)aniline, ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.961225956 u
Formula C9H7BrF3NO2
InChI InChI=1S/C9H7BrF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKey SHHWWZMWTUTJPY-UHFFFAOYSA-N
Molecular Weight 298.059 g/mol
SMILES C(F)(F)(F)OC1=C(C=CC(=C1)Br)NC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95497