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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36VqFWId2q2
Name 1,3-Dimethylisoguanine
Alternate Name(s) 6-imino-1,3-dimethyl-1,3,6,9-tetrahydro-2H-purin-2-one
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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
Molecular Weight 179.183 g/mol
SMILES [nH]1cnc2C(N(C(N(c12)C)=O)C)=N
SPLASH splash10-00di-3900000000-1ba58c221ab0e2a159b7
Source of Spectrum G4-60-728-0
Wiley ID 1606758