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3-[4-(Trifluoromethyl)phenyl]benzonitrile

View entire compound with spectra: 1 NMR, and 1 FTIR

3-[4-(Trifluoromethyl)phenyl]benzonitrile
SpectraBase Compound ID AYywry75TJ4
InChI InChI=1S/C14H8F3N/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-18/h1-8H
InChIKey WZGRFIOYNFHFIM-UHFFFAOYSA-N
Mol Weight 247.22 g/mol
Molecular Formula C14H8F3N
Exact Mass 247.060884 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JUGaAGSShPe
Name 3-[4-(Trifluoromethyl)phenyl]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.060883751 u
Formula C14H8F3N
InChI InChI=1S/C14H8F3N/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-18/h1-8H
InChIKey WZGRFIOYNFHFIM-UHFFFAOYSA-N
Molecular Weight 247.220 g/mol
SMILES C(F)(F)(F)C1=CC=C(C=C1)C1=CC(=CC=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852674