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4'-NITRO-1,1'-BIPHENYL-4-CARBONITRILE
SpectraBase Compound ID IoXq6N5srG7
InChI InChI=1S/C13H8N2O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)15(16)17/h1-8H
InChIKey QHWXJDVNOZETQM-UHFFFAOYSA-N
Mol Weight 224.22 g/mol
Molecular Formula C13H8N2O2
Exact Mass 224.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYxHjrxSEc0
Name 4-Cyano-4'-nitrobiphenyl
Alternate Name(s) 4-(4-Nitrophenyl)benzonitrile 4-(4-Nitrophenyl)benzenecarbonitrile 4'-nitro-[1,1'-biphenyl]-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N2O2
InChI InChI=1S/C13H8N2O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)15(16)17/h1-8H
InChIKey QHWXJDVNOZETQM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo202472k
Molecular Weight 224.219 g/mol
SMILES c1c(ccc(c1)-c1ccc(cc1)[N+](=O)[O-])C#N
SPLASH splash10-0fml-0960000000-6af9535bda9f35a267d8
Source of Spectrum J-77-3547-Table5,entry1
Wiley ID 1745000