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4-Cyanobiphenyl
SpectraBase Compound ID IuvMuFcfUqU
InChI InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChIKey BPMBNLJJRKCCRT-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C13H9N
Exact Mass 179.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZvGv7kHAXd
Name [1,1'-Biphenyl]-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 179.073499294 u
Formula C13H9N
InChI InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChIKey BPMBNLJJRKCCRT-UHFFFAOYSA-N
Instrument Name HP 5989B
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600420
Molecular Weight 179.222 g/mol
Quality 194
SMILES C1=C(C=CC(=C1)C1=CC=CC=C1)C#N
SPLASH splash10-004i-0900000000-d9240a695f150f3a22b8
Source of Spectrum QE-22-SM14-Table 4, entry 31 (DOI: 10.1002/chem.201600420)
Thin-Layer Chromatography 0.50 (Ethyl acetate/Hexane, 1:4)
Wiley ID 1903235