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4-Amino-3-(trifluoromethyl)benzonitrile, N-methyl-

View entire compound with spectra: 1 FTIR

4-Amino-3-(trifluoromethyl)benzonitrile, N-methyl-
SpectraBase Compound ID 8SHjjJZ67m5
InChI InChI=1S/C9H7F3N2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4,14H,1H3
InChIKey CUQKCBZDSGYDEI-UHFFFAOYSA-N
Mol Weight 200.16 g/mol
Molecular Formula C9H7F3N2
Exact Mass 200.056133 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 88GEMXoesxc
Name 4-Amino-3-(trifluoromethyl)benzonitrile, N-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.056132722 u
Formula C9H7F3N2
InChI InChI=1S/C9H7F3N2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4,14H,1H3
InChIKey CUQKCBZDSGYDEI-UHFFFAOYSA-N
Molecular Weight 200.164 g/mol
SMILES C(F)(F)(F)C1=C(C=CC(=C1)C#N)NC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818135