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6-CYANO-2-METHYL-[1,2,4]-TRIAZOLO-[5,1-A]-ISOQUINOLINE-5-METHANOLNITRATE
SpectraBase Compound ID 6rfzmadGBfX
InChI InChI=1S/C13H9N5O3/c1-8-15-13-10-5-3-2-4-9(10)11(6-14)12(17(13)16-8)7-21-18(19)20/h2-5H,7H2,1H3
InChIKey SCBKZJKQPWNWRF-UHFFFAOYSA-N
Mol Weight 283.25 g/mol
Molecular Formula C13H9N5O3
Exact Mass 283.070539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrdyIkAIDF
Name 6-CYANO-2-METHYL-[1,2,4]-TRIAZOLO-[5,1-A]-ISOQUINOLINE-5-METHANOLNITRATE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9N5O3
InChI InChI=1S/C13H9N5O3/c1-8-15-13-10-5-3-2-4-9(10)11(6-14)12(17(13)16-8)7-21-18(19)20/h2-5H,7H2,1H3
InChIKey SCBKZJKQPWNWRF-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 283.246 g/mol
Solvent CDCl3
Source File Reference UWLU22430