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5-(4-Fluorophenyl)-1-n-octyl-4-phenyl-1H-1,2,3-triazole

View entire compound with spectra: 1 MS (GC)

5-(4-Fluorophenyl)-1-n-octyl-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID 49brxNZQwI4
InChI InChI=1S/C22H26FN3/c1-2-3-4-5-6-10-17-26-22(19-13-15-20(23)16-14-19)21(24-25-26)18-11-8-7-9-12-18/h7-9,11-16H,2-6,10,17H2,1H3
InChIKey SOXJNVMVMGXHOP-UHFFFAOYSA-N
Mol Weight 351.47 g/mol
Molecular Formula C22H26FN3
Exact Mass 351.211076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iti96NUBuxV
Name 5-(4-Fluorophenyl)-1-n-octyl-4-phenyl-1H-1,2,3-triazole
Alternate Name(s) 5-(4-fluorophenyl)-1-octyl-4-phenyl-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26FN3
InChI InChI=1S/C22H26FN3/c1-2-3-4-5-6-10-17-26-22(19-13-15-20(23)16-14-19)21(24-25-26)18-11-8-7-9-12-18/h7-9,11-16H,2-6,10,17H2,1H3
InChIKey SOXJNVMVMGXHOP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol801078r
Molecular Weight 351.469 g/mol
SMILES c1([n](nnc1-c1ccccc1)CCCCCCCC)-c1ccc(cc1)F
SPLASH splash10-03di-2194000000-d1b7468f077e88ffc291
Source of Spectrum A1-10-3081/SMS7-4e
Wiley ID 1759604