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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)-N-(1-methylbutyl)acetamide
SpectraBase Compound ID 7STDLzfxjgp
InChI InChI=1S/C14H21N5O3/c1-5-6-9(2)16-10(20)7-19-8-15-12-11(19)13(21)18(4)14(22)17(12)3/h8-9H,5-7H2,1-4H3,(H,16,20)
InChIKey PHUBMVSGNRNVAN-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C14H21N5O3
Exact Mass 307.16444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8Q5OoE5NMA
Name 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)-N-(1-methylbutyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 307.164439553 u
Formula C14H21N5O3
InChI InChI=1S/C14H21N5O3/c1-5-6-9(2)16-10(20)7-19-8-15-12-11(19)13(21)18(4)14(22)17(12)3/h8-9H,5-7H2,1-4H3,(H,16,20)
InChIKey PHUBMVSGNRNVAN-UHFFFAOYSA-N
Molecular Weight 307.354 g/mol
SMILES C1(N(C(C2=C(N1C)N=CN2CC(NC(C)CCC)=O)=O)C)=O