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5-Bromo-1-(methylsulfonyl)-2-(1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID FyyfkyTAN1b
InChI InChI=1S/C15H11BrN6O2S/c1-25(23,24)22-14(6-10-5-11(16)7-18-15(10)22)13-9-21(20-19-13)12-3-2-4-17-8-12/h2-9H,1H3
InChIKey LPAJDPQSYJVKTA-UHFFFAOYSA-N
Mol Weight 419.26 g/mol
Molecular Formula C15H11BrN6O2S
Exact Mass 417.984758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CciQ2u57Bow
Name 5-Bromo-1-(methylsulfonyl)-2-(1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Appearance Pale brown solid
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Exact Mass 417.984757790 u
Formula C15H11BrN6O2S
InChI InChI=1S/C15H11BrN6O2S/c1-25(23,24)22-14(6-10-5-11(16)7-18-15(10)22)13-9-21(20-19-13)12-3-2-4-17-8-12/h2-9H,1H3
InChIKey LPAJDPQSYJVKTA-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 419.257 g/mol
Quality 735
Reported Formula C15H11(79)BrN6O2S
SMILES C1(=CC2=C(N=C1)N(C(=C2)C=1N=NN(C1)C1=CC=CN=C1)S(C)(=O)=O)Br
SPLASH splash10-03di-2169000000-a7d9273a3ea9c252a585
Source of Spectrum QE-24-SM10-1d (DOI: 10.1002/chem.201801632)
Wiley ID 1901572