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4'-FLUOROBIPHENYL-4-CARBONITRILE
SpectraBase Compound ID 4kxKjw3c6hD
InChI InChI=1S/C13H8FN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
InChIKey URIGWZMDTRKUSJ-UHFFFAOYSA-N
Mol Weight 197.21 g/mol
Molecular Formula C13H8FN
Exact Mass 197.064077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzZLgJnTOnV
Name 4'-Fluoro-[1,1'-biphenyl]-4-carbonitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 197.064077425 u
Formula C13H8FN
InChI InChI=1S/C13H8FN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
InChIKey URIGWZMDTRKUSJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202005282
Molecular Weight 197.212 g/mol
Quality 156
SMILES C1(F)=CC=C(C=C1)C1=CC=C(C=C1)C#N
SPLASH splash10-0002-0900000000-ffe626b5fecc790ebe88
Source of Spectrum QE-27-SM25-2aa (DOI: 10.1002/chem.202005282)
Thin-Layer Chromatography 0.15 (hexane/EtOAc, 98:2, UV, KMnO4)
Wiley ID 1901936