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4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile, N-methyl-

View entire compound with spectra: 1 FTIR

4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile, N-methyl-
SpectraBase Compound ID 3T76JbfQSbT
InChI InChI=1S/C9H6BrF3N2/c1-15-8-3-6(9(11,12)13)5(4-14)2-7(8)10/h2-3,15H,1H3
InChIKey BKGMPIBAOSSACA-UHFFFAOYSA-N
Mol Weight 279.06 g/mol
Molecular Formula C9H6BrF3N2
Exact Mass 277.966646 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JRly93wKKCr
Name 4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile, N-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.966645690 u
Formula C9H6BrF3N2
InChI InChI=1S/C9H6BrF3N2/c1-15-8-3-6(9(11,12)13)5(4-14)2-7(8)10/h2-3,15H,1H3
InChIKey BKGMPIBAOSSACA-UHFFFAOYSA-N
Molecular Weight 279.060 g/mol
SMILES C(F)(F)(F)C1=C(C=C(C(=C1)NC)Br)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870695