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

View entire compound with spectra: 2 MS (GC)

5-Phenyl-3-[4-(5-phenyl-1H-1,2,4-triazol-3-yl)butyl]-1H-1,2,4-triazole
SpectraBase Compound ID B6u13nPQcol
InChI InChI=1S/C20H20N6/c1-3-9-15(10-4-1)19-21-17(23-25-19)13-7-8-14-18-22-20(26-24-18)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,21,23,25)(H,22,24,26)
InChIKey MBTWBNYCECEIAW-UHFFFAOYSA-N
Mol Weight 344.42 g/mol
Molecular Formula C20H20N6
Exact Mass 344.174945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JilrYdwZfqz
Name 5-Phenyl-3-[4-(5-phenyl-1H-1,2,4-triazol-3-yl)butyl]-1H-1,2,4-triazole
Alternate Name(s) 1H-1,2,4-Triazole, 3,3'-(1,4-butanediyl)bis[5-phenyl- 3-Phenyl-5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)butyl]-1H-1,2,4-triazole
CAS Registry Number 7707-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N6
InChI InChI=1S/C20H20N6/c1-3-9-15(10-4-1)19-21-17(23-25-19)13-7-8-14-18-22-20(26-24-18)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,21,23,25)(H,22,24,26)
InChIKey MBTWBNYCECEIAW-UHFFFAOYSA-N
Molecular Weight 344.422 g/mol
SMILES [nH]1c(nc(CCCCc2nc([nH]n2)-c2ccccc2)n1)-c1ccccc1
SPLASH splash10-00di-2901000000-9ebeb9bb0a13a75fc71f
Wiley ID 1496399