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2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(5-methoxythiophen-2-yl)quinoxaline
SpectraBase Compound ID 8XozzO3HB6c
InChI InChI=1S/C22H17N5OS/c1-28-20-12-11-19(29-20)22-21(23-16-9-5-6-10-17(16)24-22)18-14-27(26-25-18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3
InChIKey YXZKQDLGZXJROO-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C22H17N5OS
Exact Mass 399.115381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63zA82LW80V
Name 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(5-methoxythiophen-2-yl)quinoxaline
Appearance Yellow solid
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Exact Mass 399.115381360 u
Formula C22H17N5OS
InChI InChI=1S/C22H17N5OS/c1-28-20-12-11-19(29-20)22-21(23-16-9-5-6-10-17(16)24-22)18-14-27(26-25-18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3
InChIKey YXZKQDLGZXJROO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900277
Molecular Weight 399.472 g/mol
SMILES C1(=CC=CC=C1)CN1N=NC(=C1)C1=NC2=C(N=C1C=1SC(=CC1)OC)C=CC=C2
SPLASH splash10-0uka-0079600000-122bc531b5a7e7885026
Source of Spectrum QE-25-SM7-3d (DOI: 10.1002/chem.201900277)
Thin-Layer Chromatography 0.50 (petroleum ether/ethyl acetate, 1:1)
Wiley ID 1893777