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3,5-Diphenyl-4-(1'-octyl)-4H-[1,2,4]-triazole
SpectraBase Compound ID Lfq3bf4fr8C
InChI InChI=1S/C22H27N3/c1-2-3-4-5-6-13-18-25-21(19-14-9-7-10-15-19)23-24-22(25)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
InChIKey PPMRBQSAAWLOJI-UHFFFAOYSA-N
Mol Weight 333.48 g/mol
Molecular Formula C22H27N3
Exact Mass 333.220498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vInFY5rSmy
Name 3,5-Diphenyl-4-(1'-octyl)-4H-[1,2,4]-triazole
Alternate Name(s) 4-Octyl-3,5-diphenyl-4H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3
InChI InChI=1S/C22H27N3/c1-2-3-4-5-6-13-18-25-21(19-14-9-7-10-15-19)23-24-22(25)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
InChIKey PPMRBQSAAWLOJI-UHFFFAOYSA-N
Molecular Weight 333.479 g/mol
SMILES c1(nnc([n]1CCCCCCCC)-c1ccccc1)-c1ccccc1
SPLASH splash10-00ed-4391000000-5e2da6ecadd886e9f816
Source of Spectrum SB-45-613-0
Wiley ID 744824