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2-(4-Butyl-1H-1,2,3-triazol-1-yl)-3-phenylquinoxaline
SpectraBase Compound ID 1NVEV1k3bMR
InChI InChI=1S/C20H19N5/c1-2-3-11-16-14-25(24-23-16)20-19(15-9-5-4-6-10-15)21-17-12-7-8-13-18(17)22-20/h4-10,12-14H,2-3,11H2,1H3
InChIKey XJGYBMKEUQIRGA-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C20H19N5
Exact Mass 329.164046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AQtkjWdPgW
Name 2-(4-Butyl-1H-1,2,3-triazol-1-yl)-3-phenylquinoxaline
Appearance Brown solid
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Exact Mass 329.164045632 u
Formula C20H19N5
InChI InChI=1S/C20H19N5/c1-2-3-11-16-14-25(24-23-16)20-19(15-9-5-4-6-10-15)21-17-12-7-8-13-18(17)22-20/h4-10,12-14H,2-3,11H2,1H3
InChIKey XJGYBMKEUQIRGA-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.111
Molecular Weight 329.407 g/mol
Reported Formula C20H19N5
SMILES C(CCC)C=1N=NN(C1)C1=NC2=C(N=C1C1=CC=CC=C1)C=CC=C2
SPLASH splash10-0a4i-0091000000-583f2ba0f492ca61d454
Source of Spectrum BJO-18-SM63-15d (DOI: 10.3762/bjoc.18.111)
Thin-Layer Chromatography 0.48 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1901208