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3-[1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl]aniline hydrochloride
SpectraBase Compound ID 7H5RR9Hsa2g
InChI InChI=1S/C16H12N6.Cl/c17-12-5-3-4-11(8-12)15-10-22(21-20-15)16-9-18-13-6-1-2-7-14(13)19-16;/h1-10H,17H2;
InChIKey KPANRLMCFYTYIV-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 JiW4IL7gQVe
Name 3-[1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl]aniline hydrochloride
Appearance White-yellow solid
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Exact Mass 323.081197110 u
Formula C16H12ClN6
InChI InChI=1S/C16H12N6.Cl/c17-12-5-3-4-11(8-12)15-10-22(21-20-15)16-9-18-13-6-1-2-7-14(13)19-16;/h1-10H,17H2;
InChIKey KPANRLMCFYTYIV-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 143
Reported Formula C16H12N6
SMILES [Cl].NC1=CC(C=2N=NN(C3=NC4=C(C=CC=C4)N=C3)C2)=CC=C1
SPLASH splash10-08fr-0690000000-a74b8d714df55a03dc7a
Source of Spectrum BJO-18-SM45-14h (DOI: 10.3762/bjoc.18.111)
Thin-Layer Chromatography 0.33 (CH2Cl2/MeOH, 20:1)
Wiley ID 1901202