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6,6'-((phenylazanediyl)bis(4,1-phenylene))bis(5-phenylpyrazine-2,3-dicarbonitrile)
SpectraBase Compound ID 7QxNqL9bvDY
InChI InChI=1S/C42H23N9/c43-24-35-37(26-45)49-41(39(47-35)28-10-4-1-5-11-28)30-16-20-33(21-17-30)51(32-14-8-3-9-15-32)34-22-18-31(19-23-34)42-40(29-12-6-2-7-13-29)48-36(25-44)38(27-46)50-42/h1-23H
InChIKey OXVCHCZOCQVWKL-UHFFFAOYSA-N
Mol Weight 653.7 g/mol
Molecular Formula C42H23N9
Exact Mass 653.207642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVFd4rr7cHj
Name 6,6'-((phenylazanediyl)bis(4,1-phenylene))bis(5-phenylpyrazine-2,3-dicarbonitrile)
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H23N9
InChI InChI=1S/C42H23N9/c43-24-35-37(26-45)49-41(39(47-35)28-10-4-1-5-11-28)30-16-20-33(21-17-30)51(32-14-8-3-9-15-32)34-22-18-31(19-23-34)42-40(29-12-6-2-7-13-29)48-36(25-44)38(27-46)50-42/h1-23H
InChIKey OXVCHCZOCQVWKL-UHFFFAOYSA-N
Instrument Name Thermo Fisher ITQ 1100
Ionization Type EI
Literature Reference DOI 10.1002/cplu.202000703
Molecular Weight 653.709 g/mol
SMILES c1(N(c2ccccc2)c2ccc(cc2)-c2c(nc(c(n2)C#N)C#N)-c2ccccc2)ccc(cc1)-c1nc(c(nc1-c1ccccc1)C#N)C#N
SPLASH splash10-0udi-0010109000-4e425cc3f9092608d69c
Source of Spectrum CPC-86-SM6-TPA-2DCNPZ
Wiley ID 1856553