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 Google Search
Mol Weight	333.48 g/mol
Molecular Formula	C22H27N3
Exact Mass	333.220498 g/mol

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SpectraBase Spectrum ID	5vInFY5rSmy
Name	3,5-Diphenyl-4-(1'-octyl)-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
Synonyms	4-Octyl-3,5-diphenyl-4H-1,2,4-triazole
Wiley ID	744824