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3,6-dihydro-3,7-dimethyl-2,6-dioxopurine-1(2H)-acetic acid, monohydrate
SpectraBase Compound ID 9eDhdGdDohU
InChI InChI=1S/C9H10N4O4.H2O/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2;/h4H,3H2,1-2H3,(H,14,15);1H2
InChIKey WPLOFPVYMKCOAF-UHFFFAOYSA-N
Mol Weight 256.218 g/mol
Molecular Formula C9H12N4O5
Exact Mass 256.080769 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DKYXX5iV9g
Name 3,6-dihydro-3,7-dimethyl-2,6-dioxopurine-1(2H)-acetic acid, monohydrate
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Formula C9H12N4O5
InChI InChI=1S/C9H10N4O4.H2O/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2;/h4H,3H2,1-2H3,(H,14,15);1H2
InChIKey WPLOFPVYMKCOAF-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 42799M
Solvent Polysol