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2-(4-Butyl-1H-1,2,3-triazol-1-yl)-3-((3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy)quinoxaline
SpectraBase Compound ID 1MvDJPkZ4P6
InChI InChI=1S/C24H18F17N5O/c1-2-3-6-12-11-46(45-44-12)15-16(43-14-8-5-4-7-13(14)42-15)47-10-9-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKey HZQOUMBELHPHLV-UHFFFAOYSA-N
Mol Weight 715.41 g/mol
Molecular Formula C24H18F17N5O
Exact Mass 715.123989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpotQ8aFDMu
Name 2-(4-Butyl-1H-1,2,3-triazol-1-yl)-3-((3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy)quinoxaline
Appearance White to yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 715.123988990 u
Formula C24H18F17N5O
InChI InChI=1S/C24H18F17N5O/c1-2-3-6-12-11-46(45-44-12)15-16(43-14-8-5-4-7-13(14)42-15)47-10-9-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKey HZQOUMBELHPHLV-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.111
Molecular Weight 715.415 g/mol
Quality 365
Reported Formula C24H18O1N5F17
SMILES C(CCC)C=1N=NN(C1)C1=NC2=C(N=C1OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=CC=C2
SPLASH splash10-0a4i-3100009000-7726922221049cac3134
Source of Spectrum BJO-18-SM69-15h (DOI: 10.3762/bjoc.18.111)
Thin-Layer Chromatography 0.68 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1901211