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4-Nitro-4`-trifluoromethyl-1, 1'-biphenyl

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-Nitro-4`-trifluoromethyl-1, 1'-biphenyl
SpectraBase Compound ID 6zL2kgNV8U1
InChI InChI=1S/C13H8F3NO2/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(18)19/h1-8H
InChIKey AELKRIGVTQBRQU-UHFFFAOYSA-N
Mol Weight 267.21 g/mol
Molecular Formula C13H8F3NO2
Exact Mass 267.050713 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IX9RzKyBPHZ
Name 4-Nitro-4`-trifluoromethyl-1, 1'-biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.050712989 u
Formula C13H8F3NO2
InChI InChI=1S/C13H8F3NO2/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(18)19/h1-8H
InChIKey AELKRIGVTQBRQU-UHFFFAOYSA-N
Molecular Weight 267.207 g/mol
SMILES C=1C=C(C=2C=CC(=CC2)C(F)(F)F)C=CC1[N+](=O)[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952444