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3,5-Diphenyl-4-(2'-octyl)-4H-[1,2,4]-triazole
SpectraBase Compound ID GtCXJqwBHKZ
InChI InChI=1S/C22H27N3/c1-3-4-5-8-13-18(2)25-21(19-14-9-6-10-15-19)23-24-22(25)20-16-11-7-12-17-20/h6-7,9-12,14-18H,3-5,8,13H2,1-2H3
InChIKey MBDUJJRXOHWSHJ-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 3rIW3v1iRIP
Name 3,5-Diphenyl-4-(2'-octyl)-4H-[1,2,4]-triazole
Alternate Name(s) 4-(1-Methylheptyl)-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/c1-3-4-5-8-13-18(2)25-21(19-14-9-6-10-15-19)23-24-22(25)20-16-11-7-12-17-20/h6-7,9-12,14-18H,3-5,8,13H2,1-2H3
InChIKey MBDUJJRXOHWSHJ-UHFFFAOYSA-N
Molecular Weight 333.479 g/mol
SMILES c1([n](c(nn1)-c1ccccc1)C(CCCCCC)C)-c1ccccc1
SPLASH splash10-00di-9482000000-87ba7e500cc02d838844
Source of Spectrum SB-45-614-0
Wiley ID 744823