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DZJIGGBODQKWFT-GQCTYLIASA-N
SpectraBase Compound ID 4MmgP11jjur
InChI InChI=1S/C8H9N3O2/c1-6(5-12)4-11-3-2-7(9)10-8(11)13/h2-5H,1H3,(H2,9,10,13)/b6-4+
InChIKey DZJIGGBODQKWFT-GQCTYLIASA-N
Mol Weight 179.18 g/mol
Molecular Formula C8H9N3O2
Exact Mass 179.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOf9RBnJWir
Name DZJIGGBODQKWFT-GQCTYLIASA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N3O2
InChI InChI=1S/C8H9N3O2/c1-6(5-12)4-11-3-2-7(9)10-8(11)13/h2-5H,1H3,(H2,9,10,13)/b6-4+
InChIKey DZJIGGBODQKWFT-GQCTYLIASA-N
Literature Reference Author T.HUYBRECHTS,M.HERMANS,B.VANHOOF,G.WINDERICKX,C.DENEEF,S.HOS TYN,S.VRIELNCK,W.VER
Literature Reference Citation J.PHARM.BIOM.ANAL.,70,231(2012)
Literature Reference DOI 10.1016/j.jpba.2012.07.002
Molecular Weight 179.178 g/mol
Solvent D2O
Source File Reference UWMZ44092