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3-[(benzylthio)methyl]-7-methyl-2-(3-pyridyl)imidazo[1,2-a]pyridine
SpectraBase Compound ID 36P1fHYfKG9
InChI InChI=1S/C21H19N3S/c1-16-9-11-24-19(15-25-14-17-6-3-2-4-7-17)21(23-20(24)12-16)18-8-5-10-22-13-18/h2-13H,14-15H2,1H3
InChIKey NIQMRHAGQBWNKJ-UHFFFAOYSA-N
Mol Weight 345.46 g/mol
Molecular Formula C21H19N3S
Exact Mass 345.129969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMCH4uYCfRG
Name 3-[(benzylthio)methyl]-7-methyl-2-(3-pyridyl)imidazo[1,2-a]pyridine
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19N3S
InChI InChI=1S/C21H19N3S/c1-16-9-11-24-19(15-25-14-17-6-3-2-4-7-17)21(23-20(24)12-16)18-8-5-10-22-13-18/h2-13H,14-15H2,1H3
InChIKey NIQMRHAGQBWNKJ-UHFFFAOYSA-N
Literature Reference Author S.MAVEL,J.L.RENOU,C.GALTIER,H.ALLOUCHI,R.SNOECK,G.ANDREI,E.D .CLERCQ,J.BALZARINI,
Literature Reference Citation BIOORG.MED.CHEM.,10,941(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00347-9
Molecular Weight 345.462 g/mol
Solvent CDCl3
Source File Reference UWMZ22111