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MRUKYOQQKHNMFI-PSQAKQOGSA-N
SpectraBase Compound ID Az8KpfZRqNi
InChI InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m0/s1
InChIKey MRUKYOQQKHNMFI-PSQAKQOGSA-N
Mol Weight 269.22 g/mol
Molecular Formula C9H11N5O5
Exact Mass 269.076018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L221M1jYbFi
Name MRUKYOQQKHNMFI-PSQAKQOGSA-N
Compound Number 16F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11N5O5
InChI InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m0/s1
InChIKey MRUKYOQQKHNMFI-PSQAKQOGSA-N
Literature Reference Author M.J.ROBINS,S.F.WNUK,A.E.HERNANDEZ-THIRRING,M.C.SAMANO
Literature Reference Citation J.AM.CHEM.SOC.,118,11341(1996)
Literature Reference DOI 10.1021/ja962117m
Molecular Weight 269.217 g/mol
Sample ID 54441
Solvent DMSO-D6