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4-(1-(Quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)benzenaminium chloride
SpectraBase Compound ID KDHS067naZI
InChI InChI=1S/C16H12N6.Cl/c17-12-7-5-11(6-8-12)15-10-22(21-20-15)16-9-18-13-3-1-2-4-14(13)19-16;/h1-10H,17H2;
InChIKey FQPFTLGDZUXAPS-UHFFFAOYSA-N
Mol Weight 323.77 g/mol
Molecular Formula C16H12ClN6
Exact Mass 323.081197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Hwi7k0Remy
Name 4-(1-(Quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)benzenaminium chloride
Appearance Green solid
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Exact Mass 323.081197110 u
Formula C16H12ClN6
InChI InChI=1S/C16H12N6.Cl/c17-12-7-5-11(6-8-12)15-10-22(21-20-15)16-9-18-13-3-1-2-4-14(13)19-16;/h1-10H,17H2;
InChIKey FQPFTLGDZUXAPS-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.111
Molecular Weight 323.767 g/mol
Quality 77
Reported Formula C16H12N6
SMILES NC1=CC=C(C=2N=NN(C3=NC4=C(C=CC=C4)N=C3)C2)C=C1.[Cl]
SPLASH splash10-03e9-0690000000-c7a90caa5238bc5d0778
Source of Spectrum BJO-18-SM40-14c (DOI: 10.3762/bjoc.18.111)
Thin-Layer Chromatography 0.17 (cyclohexane/ethyl acetate, 4:1)
Wiley ID 1901197