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5-BROMOMETHYL-2-METHYL-[1,2,4]-TRIAZOLO-[5,1-A]-ISOQUINOLINE-6-CARBONITRILE
SpectraBase Compound ID GQO3DhTqknO
InChI InChI=1S/C13H9BrN4/c1-8-16-13-10-5-3-2-4-9(10)11(7-15)12(6-14)18(13)17-8/h2-5H,6H2,1H3
InChIKey JQYLAFDJIADWDE-UHFFFAOYSA-N
Mol Weight 301.15 g/mol
Molecular Formula C13H9BrN4
Exact Mass 300.001059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlMsTbs7Cat
Name 5-BROMOMETHYL-2-METHYL-[1,2,4]-TRIAZOLO-[5,1-A]-ISOQUINOLINE-6-CARBONITRILE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9BrN4
InChI InChI=1S/C13H9BrN4/c1-8-16-13-10-5-3-2-4-9(10)11(7-15)12(6-14)18(13)17-8/h2-5H,6H2,1H3
InChIKey JQYLAFDJIADWDE-UHFFFAOYSA-N
Literature Reference Author L.W.DEADY,S.M.DEVINE
Literature Reference Citation J.HETCYCL.CHEM.,41,549(2004)
Literature Reference DOI 10.1002/jhet.5570410411
Molecular Weight 301.145 g/mol
Solvent CDCl3
Source File Reference UWLU22423