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1,3-Dimethylisoguanine
SpectraBase Compound ID 55Fq1bSmdUg
InChI InChI=1S/C7H9N5O/c1-11-5(8)4-6(10-3-9-4)12(2)7(11)13/h3,8H,1-2H3,(H,9,10)
InChIKey SZMYTAKQGWDBJI-UHFFFAOYSA-N
Mol Weight 179.18 g/mol
Molecular Formula C7H9N5O
Exact Mass 179.08071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Evgbvktl9DJ
Name 1,3-DIMETHYLISOGUANINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9N5O
InChI InChI=1S/C7H9N5O/c1-11-5(8)4-6(10-3-9-4)12(2)7(11)13/h3,8H,1-2H3,(H,9,10)
InChIKey SZMYTAKQGWDBJI-UHFFFAOYSA-N
Literature Reference Author C.C.CHEHADE,R.L.A.DIAS,R.G.S.BERLINCK,A.G.FERREIRA,L.V.COSTA ,M.RANGEL,E.L.A.MALP
Literature Reference Citation J.NAT.PROD.,60,729(1997)
Literature Reference DOI 10.1021/np970021f
Molecular Weight 179.181 g/mol
Solvent CD3OD
Source File Reference WANG545