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2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-5-bromo-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 4lNe39AYVI6
InChI InChI=1S/C17H14BrN5O2S/c1-26(24,25)23-16(8-13-7-14(18)9-19-17(13)23)15-11-22(21-20-15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKey LSLGGRMFMGDJNM-UHFFFAOYSA-N
Mol Weight 432.3 g/mol
Molecular Formula C17H14BrN5O2S
Exact Mass 431.005159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20uDX5Qy3Il
Name 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-5-bromo-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
Appearance Pale yellow solid
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Exact Mass 431.005158883 u
Formula C17H14BrN5O2S
InChI InChI=1S/C17H14BrN5O2S/c1-26(24,25)23-16(8-13-7-14(18)9-19-17(13)23)15-11-22(21-20-15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKey LSLGGRMFMGDJNM-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 432.296 g/mol
Quality 414
SMILES C1(=CC2=C(N=C1)N(C(=C2)C=1N=NN(C1)CC1=CC=CC=C1)S(C)(=O)=O)Br
SPLASH splash10-0096-7097100000-780fc096bbce739042eb
Source of Spectrum QE-24-SM16-1l (DOI: 10.1002/chem.201801632)
Wiley ID 1901580