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s-Triazole, 3,3'-p-phenylenebis[5-phenyl-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

s-Triazole, 3,3'-p-phenylenebis[5-phenyl-
SpectraBase Compound ID 4ZlTZeLFO49
InChI InChI=1S/C22H16N6/c1-3-7-15(8-4-1)19-23-21(27-25-19)17-11-13-18(14-12-17)22-24-20(26-28-22)16-9-5-2-6-10-16/h1-14H,(H,23,25,27)(H,24,26,28)
InChIKey JEBNIFQJISHRGJ-UHFFFAOYSA-N
Mol Weight 364.41 g/mol
Molecular Formula C22H16N6
Exact Mass 364.143645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJ4gHgW3ukn
Name S-Triazole, 3,3'-p-phenylenebis[5-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 364.143644539 u
Formula C22H16N6
InChI InChI=1S/C22H16N6/c1-3-7-15(8-4-1)19-23-21(27-25-19)17-11-13-18(14-12-17)22-24-20(26-28-22)16-9-5-2-6-10-16/h1-14H,(H,23,25,27)(H,24,26,28)
InChIKey JEBNIFQJISHRGJ-UHFFFAOYSA-N
Molecular Weight 364.412 g/mol
SMILES C1=CC(C=2NN=C(N2)C2=CC=C(C=3N=C(C4=CC=CC=C4)NN3)C=C2)=CC=C1