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FLRQOHXEHOSRDF-UHFFFAOYSA-N
SpectraBase Compound ID 48nG5YJ0Y0u
InChI InChI=1S/C13H9N5O2/c1-7-12(6-14)10-4-3-9(18(19)20)5-11(10)13-16-15-8(2)17(7)13/h3-5H,1-2H3
InChIKey FLRQOHXEHOSRDF-UHFFFAOYSA-N
Mol Weight 267.25 g/mol
Molecular Formula C13H9N5O2
Exact Mass 267.075625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuSUbKqofUf
Name 3,5-DIMETHYL-9-NITRO-[1,2,4]-TRIAZOLO-[3,4-A]-ISOQUINOLINE-6-CARBONITRILE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9N5O2
InChI InChI=1S/C13H9N5O2/c1-7-12(6-14)10-4-3-9(18(19)20)5-11(10)13-16-15-8(2)17(7)13/h3-5H,1-2H3
InChIKey FLRQOHXEHOSRDF-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 267.247 g/mol
Solvent DMSO-D6
Source File Reference UWLU22425