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4,4'''-Dicyano-p-quaterphenylene
SpectraBase Compound ID 6ptskLszWkJ
InChI InChI=1S/C26H16N2/c27-17-19-1-5-21(6-2-19)23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-7-3-20(18-28)4-8-22/h1-16H
InChIKey HZSSCCBTQJRYKP-UHFFFAOYSA-N
Mol Weight 356.43 g/mol
Molecular Formula C26H16N2
Exact Mass 356.131349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7AsUh8hJxNP
Name 4,4'''-dicyano-p-quaterphenylene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.131348523 u
Formula C26H16N2
InChI InChI=1S/C26H16N2/c27-17-19-1-5-21(6-2-19)23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-7-3-20(18-28)4-8-22/h1-16H
InChIKey HZSSCCBTQJRYKP-UHFFFAOYSA-N
Molecular Weight 356.428 g/mol
SMILES C(#N)C=1C=CC(C2=CC=C(C3=CC=C(C4=CC=C(C#N)C=C4)C=C3)C=C2)=CC1