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5-Phenyl-3-[4-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLDexP0H17X
Name 5-Phenyl-3-[4-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole
Alternate Name(s) 3-Phenyl-5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazole s-Triazole, 3,3'-p-phenylenebis[5-phenyl-
CAS Registry Number 95161-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 [nH]1c(nc(-c2ccc(-c3nc([nH]n3)-c3ccccc3)cc2)n1)-c1ccccc1
SPLASH splash10-03xr-6629000000-dfe434d5683e8c59f11a
Wiley ID 1496400